Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.47 |
| ▸ | TUBB known ✓ | P07437 | 2/20 | 0.45 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.44 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.44 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.44 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.44 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.44 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.44 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.44 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2330850 | 1.00 | CDK1 (0.67) | CDK1TDP1NAAAPTGS1P2RX1 | |
| Alcohol SCHEMBL2337112 | 0.95 | CDK1 (0.64) | CDK1TDP1NAAAPTGS1P2RX1 | |
| SCHEMBL29036020 | 0.91 | CDK1 (0.58) | CDK1TDP1NAAAPTGS1P2RX1 | |
| Choline SCHEMBL30481048 | 0.88 | CDK1 (0.61) | CDK1TDP1NAAAPTGS1P2RX1 | |
| SCHEMBL29036057 | 0.88 | CDK1 (0.55) | CDK1TDP1NAAAPTGS1TUBB | |
| Tetrabuthylammonium SCHEMBL30481059 | 0.88 | NAAA (0.57) | CDK1TDP1NAAAALOX5 | |
| Tetrabuthylammonium SCHEMBL29036069 | 0.88 | NAAA (0.57) | CDK1TDP1NAAAALOX5 | |
| SCHEMBL29847332 | 0.87 | CDK1 (0.49) | CDK1TDP1HDAC3HDAC1HDAC4 | |
| SCHEMBL446310 | 0.86 | CDK1 (0.70) | CDK1TDP1NAAAPTGS1P2RX1 | |
| SCHEMBL29383677 | 0.86 | CDK1 (0.70) | CDK1TDP1NAAAPTGS1P2RX1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8658695-B2 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2014-02-25 | — | — | US | disclosed |
| EP-1535625-B1 | Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin | NOVARTIS AG (CH) | 2014-01-08 | — | — | EP | disclosed |
| US-20120264834-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | NOVARTIS AG (CH) | 2012-10-18 | — | — | US | disclosed |
| US-8207227-B2 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2012-06-26 | — | — | US | disclosed |
| US-20110251125-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | NOVARTIS AG (CH) | 2011-10-13 | — | — | US | disclosed |
| US-8003697-B2 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20100099621-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2010-04-22 | — | — | US | disclosed |
| US-7659311-B2 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | NOVARTIS AG (CH) | 2010-02-09 | — | — | US | disclosed |
| US-20090264368-A1 | COMPOSITIONS FOR DELIVERING PARATHYROID HORMONE AND CALCITONIN | EMISPHERE TECHNOLOGIES, INC. (US) | 2009-10-22 | — | — | US | disclosed |
| US-20080269134-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080146509-A1 | delivery agent, parathyroid hormone, and calcitonin. This composition exhibits increased delivery of parathyroid hormone and/or calcitonin and is useful for the treatment of osteoporosis. The composition also permits simultaneous oral delivery of parathyroid hormone and calcitonin | EMISPHERE TECHNOLOGIES, INC. (US) | 2008-06-19 | — | — | US | disclosed |
| US-7384982-B2 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2008-06-10 | — | — | US | disclosed |
| EP-1535625-A1 | Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin | Emisphere Technologies, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| US-20050054557-A1 | Compositions for delivering parathyroid hormone and calcitonin | MHR INSTITUTIONAL PARTNERS IIA LP | 2005-03-10 | — | — | US | disclosed |
| US-20040106825-A1 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. | 2004-06-03 | — | — | US | disclosed |
| US-20020065255-A1 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2002-05-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020065255-A1 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | ADH1C, CLIC1, SLC9A1 | PTGS1 3537/4885TUBB 3909/4885ALOX5 2176/4885 |
| US-20110251125-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C, HCAR3 | PTGS1 3661/4885TUBB 3902/4885ALOX5 1194/4885 |
| US-20080269134-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C | PTGS1 3409/4885TUBB 3762/4885ALOX5 1086/4885 |
| US-20080146509-A1 | delivery agent, parathyroid hormone, and calcitonin. This composition exhibits increased delivery of parathyroid hormone and/or calcitonin and is useful for the treatment of osteoporosis. The composition also permits simultaneous oral delivery of parathyroid hormone and calcitonin | PTH1R, CALCA, CALCB | PTGS1 1248/4885TUBB 3591/4885ALOX5 1793/4885 |
| US-20120264834-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | ACMSD, SLC38A7, SLC10A1 | PTGS1 3606/4885TUBB 2666/4885ALOX5 1074/4885 |
| US-20100099621-A1 | DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS | HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C | PTGS1 3409/4885TUBB 3762/4885ALOX5 1086/4885 |
| US-20050054557-A1 | Compositions for delivering parathyroid hormone and calcitonin | PTH1R, CALCA, CALCB | PTGS1 993/4885TUBB 3183/4885ALOX5 1251/4885 |
| US-20040106825-A1 | Disodium salts, monohydrates, and ethanol solvates for delivering active agents | ADH1C, CLIC1, SLC9A1 | PTGS1 3537/4885TUBB 3909/4885ALOX5 2176/4885 |
| US-20090264368-A1 | COMPOSITIONS FOR DELIVERING PARATHYROID HORMONE AND CALCITONIN | PTH1R, CALCA, CALCB | PTGS1 993/4885TUBB 3183/4885ALOX5 1251/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.