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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL498014 | 0.88 | OPRM1 (0.50) | OPRM1OPRL1MEN1KMT2AOPRK1 | |
| Acetic Acid SCHEMBL27502922 | 0.86 | MEN1 (0.55) | OPRM1OPRL1AKR1C1TSHRMEN1 | |
| Ammonia Solution, Strong SCHEMBL9556021 | 0.85 | OPRM1 (0.48) | OPRM1OPRL1MEN1KMT2AOPRK1 | |
| Hydrogen Peroxide SCHEMBL9938277 | 0.81 | AKR1C1 (0.50) | OPRM1OPRL1AKR1C1OPRK1HDAC4 | |
| SCHEMBL18088638 | 0.81 | USP2 (0.57) | OPRM1TSHRMEN1KMT2AOPRK1 | |
| SCHEMBL353050 | 0.78 | OPRL1 (0.46) | OPRM1OPRL1AKR1C1OPRK1 | |
| SCHEMBL43078 | 0.78 | DPP4 (0.46) | OPRM1OPRL1AKR1C1OPRK1 | |
| SCHEMBL7814234 | 0.78 | RAB9A (0.42) | OPRM1OPRL1AKR1C1ALOX15CCR2 | |
| SCHEMBL5559794 | 0.78 | OPRM1 (0.47) | OPRM1MEN1KMT2AOPRK1EPHX2 | |
| SCHEMBL27099805 | 0.78 | KMT2A (0.43) | OPRM1MEN1KMT2AEPHX2HSD11B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0833637-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0833637-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996040136-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |