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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9430080 | 0.95 | POLB (0.58) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL33527951 | 0.81 | POLB (0.64) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL792739 | 0.81 | NPC1 (0.59) | RAB9AHPGDALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3561734 | 0.79 | POLB (0.70) | POLBHPGDALDH1A1LMNAUSP2 | |
| SCHEMBL885325 | 0.77 | POLB (0.68) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL1163822 | 0.76 | CTSK (0.60) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL15890234 | 0.76 | HPGD (0.60) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL21789275 | 0.75 | CYP2D6 (0.60) | RAB9APOLBHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL6075991 | 0.75 | HPGD (0.63) | RAB9APOLBHPGDALDH1A1LMNA | |
| SCHEMBL1709325 | 0.74 | HPGD (0.72) | RAB9APOLBHPGDALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008135526-A1 | CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-13 | — | — | WO | disclosed |