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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7965031 | 0.78 | MAPK1 (0.37) | MAPK1MAP2K4MAPKAPK2MAPK6PARP1 | |
| SCHEMBL24330092 | 0.75 | HTR1A (0.41) | HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL24331548 | 0.73 | JAK2 (0.47) | PARP1TP53 | |
| SCHEMBL20134762 | 0.72 | CHRM4 (0.39) | HTR2CGABRA1GABRB2TLR9TLR8 | |
| SCHEMBL29688814 | 0.72 | CHRM4 (0.39) | HTR2CGABRA1GABRB2TLR9TLR8 | |
| SCHEMBL7967919 | 0.72 | JUND (0.39) | HTR2C | |
| SCHEMBL24330144 | 0.71 | HTR2C (0.49) | HTR2CGABRA1GABRB2SLC18A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL26912453 | 0.70 | HTR2C (0.50) | HTR2CGABRA1GABRB2SLC18A3SIGMAR1 | |
| SCHEMBL26912560 | 0.69 | ITK (0.39) | MAPK1SIGMAR1TP53 | |
| SCHEMBL17861732 | 0.69 | MKNK1 (0.41) | HTR2CFYNTLR9TLR8TLR7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303627-B1 | FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS | ELI LILLY AND COMPANY | 2001-10-16 | — | — | US | disclosed |
| WO-1999065487-A1 | INHIBITORS OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0965587-A1 | Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |