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 | 0.50 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.46 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.64 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.64 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.64 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL225014 | 0.96 | AKR1C4 (0.64) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| Lithium Ion SCHEMBL9019696 | 0.96 | AKR1C4 (0.64) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| Potassium Ion SCHEMBL9489269 | 0.96 | AKR1C4 (0.64) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL9398453 | 0.96 | AKR1C4 (0.64) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| Water SCHEMBL9399160 | 0.94 | AKR1C4 (0.62) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL7182510 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL29387062 | 0.78 | AKR1C3 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL330545 | 0.78 | AKR1C3 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL895511 | 0.77 | AKR1C4 (0.67) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL9398447 | 0.77 | AKR1C3 (0.96) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5256514-A | Toner compositions with halogenated salicylic acid charge enhancing additives | XEROX CORPORATION (US) | 1993-10-26 | — | — | US | disclosed |
| EP-0036534-B1 | AN ORALLY ADMINISTRABLE DRUG FORM COMPRISING A BETA-LACTAM ANTIBIOTIC AND AN ADJUVANT | INTERx RESEARCH CORPORATION (US) | 1987-09-23 | — | — | EP | disclosed |
| EP-0035770-B1 | AN ORALLY ADMINISTERED DRUG FORM COMPRISING A GLYCOSIDIC ANTIBIOTIC AND AN ADJUVANT | INTERx RESEARCH CORPORATION (US) | 1986-12-30 | — | — | EP | disclosed |
| EP-0037943-B1 | PHARMACEUTICAL COMPOSITION FOR INTRARECTAL ADMINISTRATION, AND SUPPOSITORY PREPARED THEREFROM | TEIJIN LIMITED (JP) | 1985-08-14 | — | — | EP | disclosed |
| EP-0031561-B1 | A RECTALLY ADMINISTERED SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT | MERCK & CO. INC. (US) | 1985-04-10 | — | — | EP | disclosed |
| US-4470980-A | Method of increasing oral absorption of β-lactam antibiotics | INTERX RESEARCH CORP. (US) | 1984-09-11 | — | — | US | disclosed |
| US-4464363-A | HYDROXY ARYL- OR HYDROXY ARALKYL ACIDS OR SALTS | MERCK & CO., INC. (US) | 1984-08-07 | — | — | US | disclosed |
| US-4406896-A | ANTIBIOTICS, ACIDS, HYDROXY | MERCK & CO., INC. (US) | 1983-09-27 | — | — | US | disclosed |
| EP-0036534-A1 | An orally administrable drug form comprising a beta-lactam antibiotic and an adjuvant | INTERx RESEARCH CORPORATION (US) | 1981-09-30 | — | — | EP | disclosed |
| EP-0036145-A1 | An orally administered drug form comprising a polar bioactive agent and an adjuvant | INTERx RESEARCH CORPORATION (US) | 1981-09-23 | — | — | EP | disclosed |
| EP-0035770-A2 | An orally administered drug form comprising a glycosidic antibiotic and an adjuvant | INTERx RESEARCH CORPORATION (US) | 1981-09-16 | — | — | EP | disclosed |
| EP-0031561-A2 | A rectally administered suppository comprising a drug and an adjuvant | MERCK & CO. INC. (US) | 1981-07-08 | — | — | EP | disclosed |