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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL179966 | 0.91 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| Hydrochloric Acid SCHEMBL27564569 | 0.89 | ALDH1A1 (0.61) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| Formamide SCHEMBL27740418 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| SCHEMBL211474 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| Hydrochloric Acid SCHEMBL6239673 | 0.77 | ALDH1A1 (0.61) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| SCHEMBL304332 | 0.75 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDRAB9ANPC1 | |
| SCHEMBL4602665 | 0.73 | ALDH1A1 (0.61) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| SCHEMBL27564565 | 0.73 | ALDH1A1 (0.67) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| SCHEMBL21013404 | 0.73 | ALDH1A1 (0.67) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| SCHEMBL20911243 | 0.72 | ALDH1A1 (0.76) | ALDH1A1MAPTHPGDRAB9ANPC1 |
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-2010146351-A1 | INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-12-23 | — | — | WO | disclosed |