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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 6/20 | 0.39 |
| ▸ | SSTR3 known ✓ | P32745 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.42 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.42 |
| ▸ | FKBP4 | Q02790 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 4/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | Q9HBH1 | 1/20 | 0.41 | |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5874068 | 0.97 | NTMT1 (0.44) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| SCHEMBL11418081 | 0.91 | NTMT1 (0.47) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| Hydrochloric Acid SCHEMBL11418091 | 0.90 | NTMT1 (0.46) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| SCHEMBL11428022 | 0.90 | TACR1 (0.42) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| Hydrochloric Acid SCHEMBL11425398 | 0.90 | NTMT1 (0.46) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| 4-Nitroaniline SCHEMBL7360960 | 0.89 | TACR1 (0.37) | TACR1NTMT1OPRM1OPRK1 | |
| SCHEMBL29963840 | 0.88 | TACR1 (0.40) | TACR1ITGB1ITGA4NTMT1FKBP4 | |
| Acetic Acid SCHEMBL3507728 | 0.87 | F2 (0.41) | TACR1ITGB1ITGA4FKBP4 | |
| SCHEMBL8502170 | 0.86 | OPRM1 (0.42) | TACR1ITGB1ITGA4FKBP4MMP3 | |
| SCHEMBL5582769 | 0.86 | NTMT1 (0.53) | TACR1ITGB1ITGA4NTMT1FKBP4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739886-B1 | Selective thrombin inhibitors | LG CHEMICAL LTD (KR) | 2003-10-01 | — | — | EP | disclosed |
| US-5985899-A | ANTICOAGULANTS | LG CHEMICAL LTD. (KR) | 1999-11-16 | — | — | US | disclosed |
| US-5977114-A | Selective thrombin inhibitors | LG CHEMICAL LTD. (KR) | 1999-11-02 | — | — | US | disclosed |
| US-5747535-A | AMIDINOPHENYL COMPOUNDS | LG CHEMICAL LTD. (KR) | 1998-05-05 | — | — | US | disclosed |
| WO-1997049673-A1 | SELECTIVE THROMBIN INHIBITORS | LG CHEMICAL LTD. (KR) | 1997-12-31 | — | — | WO | disclosed |
| EP-0739886-A2 | Selective thrombin inhibitors | LG Chemical Limited (KR) | 1996-10-30 | — | — | EP | disclosed |