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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.83 |
| ▸ | CA9 | Q16790 | 2/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.83 |
| ▸ | TSHR | P16473 | 1/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.83 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Sodium Azide SCHEMBL123 | 0.91 | — | — | |
| SCHEMBL31744312 | 0.91 | CA1 (1.00) | CA1CA9ALDH1A1TSHRTDP1 | |
| SCHEMBL4534831 | 0.91 | — | — | |
| SCHEMBL3903787 | 0.91 | — | — | |
| SCHEMBL41872 | 0.91 | — | — | |
| SCHEMBL11418639 | 0.91 | CA1 (0.80) | CA1CA9ALDH1A1TSHRTDP1 | |
| Potassium Ion SCHEMBL11607652 | 0.83 | — | — | |
| Lithium Ion SCHEMBL4515656 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL10346943 | 0.83 | — | — | |
| SCHEMBL5683046 | 0.83 | CA1 (0.83) | CA1CA9ALDH1A1TSHRTDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125859-B1 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | ABBOTT PRODUCTS GMBH (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-8080540-B2 | Therapeutically active triazoles and their use | ABBOTT PRODUCTS GMBH (DE) | 2011-12-20 | — | — | US | disclosed |
| EP-2125859-A2 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Solvay Pharmaceuticals GmbH (DE) | 2009-12-02 | — | — | EP | disclosed |
| US-20080146531-A1 | Therapeutically Active Triazoles and Their Use | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-06-19 | — | — | US | disclosed |
| WO-2008034796-A2 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDR0XYSTER0ID DEHYDROGENASE INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-03-27 | — | — | WO | disclosed |
| US-6120997-A | LIBRARY OF COMPOUNDS WHICH INHIBIT PROTEIN SYNTHESIS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2000-09-19 | — | — | US | disclosed |
| WO-1998030570-A1 | NUCLEIC ACID BINDERS HAVING AN HYDROXYAMINE MOTIF | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-07-16 | — | — | WO | disclosed |
| US-5552431-A | ANTICOAGULANTS | G. D. SEARLE & CO. (US) | 1996-09-03 | — | — | US | disclosed |
| US-5424334-A | Peptide mimetic compounds useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1995-06-13 | — | — | US | disclosed |
| WO-1993012074-A1 | PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-06-24 | — | — | WO | 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 (1 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-20080146531-A1 | Therapeutically Active Triazoles and Their Use | HSD17B2, HSD17B3, HSD17B1 | CA1 1708/4885CA9 2910/4885ALDH1A1 87/4885 |
“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.