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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.71 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.71 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.71 |
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 5/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | NSD2 | O96028 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.57 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL51034 | 0.98 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1055674 | 0.98 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL51033 | 0.98 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1055670 | 0.96 | CA12 (0.71) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1268485 | 0.85 | CA12 (0.71) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31080938 | 0.85 | CA12 (0.76) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL69006 | 0.85 | CA12 (0.76) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10423505 | 0.85 | ALDH1A1 (0.60) | CA12CA1CA2CA9ALDH1A1 | |
| Questiomycin B SCHEMBL1366115 | 0.85 | CA9 (0.60) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1959737 | 0.83 | CA2 (1.00) | CA12CA1CA2CA9ALDH1A1 |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5328840-A | Binding with peptides a biocompatible molecule | THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) | 1994-07-12 | — | — | US | claimed |
| US-8653141-B2 | HIV protease inhibiting compounds | ABBVIE INC. (US) | 2014-02-18 | — | — | US | disclosed |
| EP-2264032-B1 | HIV PROTEASE INHIBITING SULFONAMIDES | ABBVIE INC (US) | 2013-08-07 | — | — | EP | disclosed |
| US-20130023463-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | US | disclosed |
| EP-2216334-B1 | HIV protease inhibiting sulfonamides | ABBOTT LAB (US) | 2012-10-31 | — | — | EP | disclosed |
| US-8193227-B2 | HIV protease inhibiting compounds | ABBOTT LABORATORIES (US) | 2012-06-05 | — | — | US | disclosed |
| US-7968296-B2 | CACNB2 nucleic acid mutations as indicators of shorter than normal QT interval and ST segment elevation associated with sudden cardiac death | ANTZELEVITCH CHARLES | 2011-06-28 | — | — | US | disclosed |
| US-20110053165-A1 | CACNB2 NUCLEIC ACID MUTATIONS AS INDICATORS OF SHORTER THAN NORMAL QT INTERVAL AND ST SEGMENT ELEVATION ASSOCIATED WITH SUDDEN CARDIAC DEATH | MASONIC MEDICAL RESEARCH LABORATORY (US) | 2011-03-03 | — | — | US | disclosed |
| US-7893077-B2 | Bisaryl-sulfonamides | AMGEN INC. (US) | 2011-02-22 | — | — | US | disclosed |
| US-20110003827-A1 | HIV protease inhibiting compounds | ABBVIE INC. | 2011-01-06 | — | — | US | disclosed |
| EP-0305409-B1 | SOLUBILIZATION OF PROTEINS FOR PHARMACEUTICAL COMPOSITIONS USING POLYPROLINE CONJUGATION | CETUS ONCOLOGY CORPORATION (US) | 1991-10-30 | — | — | EP | disclosed |
| EP-0439458-A1 | CHARACTERIZATION AND DETECTION OF SEQUENCES ASSOCIATED WITH AUTOIMMUNE DISEASES. | CETUS CORP (US) | 1991-08-07 | — | — | EP | disclosed |
| WO-1991002749-A1 | PEPTIDES FROM GTPase-ACTIVATING PROTEIN (GAP) AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF | CETUS CORPORATION (US) | 1991-03-07 | — | — | WO | disclosed |
| US-4894226-A | SPACERS, CROSSLINKING | CETUS CORPORATION (US) | 1990-01-16 | — | — | US | disclosed |
| WO-1989004875-A2 | CHARACTERIZATION AND DETECTION OF SEQUENCES ASSOCIATED WITH AUTOIMMUNE DISEASES | CETUS CORPORATION (US) | 1989-06-01 | — | — | WO | disclosed |
| US-4798787-A | POLYCLONAL | CETUS CORPORATION (US) | 1989-01-17 | — | — | US | disclosed |
| US-4762706-A | ANTICANCER | CETUS CORPORATION (US) | 1988-08-09 | — | — | US | disclosed |
| EP-0177814-A2 | Peptide antibodies and their use in detecting oncogene products | CETUS CORPORATION (US) | 1986-04-16 | — | — | EP | disclosed |
| EP-0175360-A2 | Peptide antibodies and their use in detecting oncogene products | CETUS CORPORATION (US) | 1986-03-26 | — | — | EP | disclosed |
| US-4487715-A | ACTIVATION, ESTERIFICATION, IMMOBILIZATION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1984-12-11 | — | — | 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 (2 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-20110003827-A1 | HIV protease inhibiting compounds | SERPINB1, HPN, DNPEP | CA12 3198/4885CA1 2294/4885CA2 3870/4885 |
| US-20130023463-A1 | HIV PROTEASE INHIBITING COMPOUNDS | SERPINB1, HPN, DNPEP | CA12 3198/4885CA1 2294/4885CA2 3870/4885 |
“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.