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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6760313 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL4859810 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5961214 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL701144 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL2195507 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL10601400 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL991294 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5722461 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL2535554 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL989387 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1002791-B1 | AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS | KISSEI PHARMACEUTICAL (JP) | 2004-10-20 | — | — | EP | disclosed |
| CN-1137877-C | Aminoethylphenoxyacetic acid derivatives and drugs for relieving pain of urolithiasis and promoting urinary calculus removal | ����ҩƷ��ҵ��ʽ���� | 2004-02-11 | — | — | CN | disclosed |
| US-6399660-B1 | AMINOETHYLPHENOXYACETIC ACID COMPOUND | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |
| CN-1265091-A | Aminoethylphanoxyacetic acid derivatives and drugs for pain remission and calculi removal promotion in urinary lithasis | KISSEI PHARMACEUTICAL (JP) | 2000-08-30 | — | — | CN | disclosed |
| EP-1002791-A1 | AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS | Kissei Pharmaceutical Co., Ltd. (JP) | 2000-05-24 | — | — | EP | disclosed |