Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL10936296 | 0.90 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL2121024 | 0.89 | — | — | |
| SCHEMBL539246 | 0.78 | CYP19A1 (0.40) | CYP19A1 | |
| SCHEMBL1469786 | 0.76 | CYP19A1 (0.36) | CYP19A1 | |
| SCHEMBL11697987 | 0.76 | CYP19A1 (0.32) | CYP19A1 | |
| SCHEMBL9858508 | 0.75 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL10397595 | 0.74 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL239774 | 0.72 | — | — | |
| SCHEMBL10613869 | 0.72 | — | — | |
| SCHEMBL8505218 | 0.72 | CYP19A1 (0.33) | CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5216141-A | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES | BENNER, STEVEN | 1993-06-01 | — | — | US | disclosed |
| EP-0418309-A4 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | — | 1993-01-07 | — | — | EP | disclosed |
| EP-0418309-A1 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | BENNER, Steven Albert (CH) | 1991-03-27 | — | — | EP | disclosed |
| WO-1989012060-A1 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | BENNER STEVEN ALBERT (CH) | 1989-12-14 | — | — | WO | disclosed |