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 | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.32 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2206844 | 0.95 | PRKCI (0.40) | PRKCICA12MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL3355963 | 0.94 | PRKCI (0.39) | PRKCICA12MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL3352601 | 0.94 | PRKCI (0.39) | PRKCICA12MEN1ALDH1A1KMT2A | |
| Formamide SCHEMBL6342969 | 0.89 | PRKCI (0.36) | PRKCICA12MEN1ALDH1A1KMT2A | |
| SCHEMBL5349926 | 0.89 | PRKCI (0.38) | PRKCICA12PTPN1PTPN11LDHA | |
| Trifluoroacetic Acid SCHEMBL6647805 | 0.88 | PRKCI (0.34) | PRKCICA12MEN1ALDH1A1KMT2A | |
| SCHEMBL7123990 | 0.82 | PRKCI (0.40) | PRKCICA12MEN1ALDH1A1KMT2A | |
| SCHEMBL6187624 | 0.82 | ALDH1A1 (0.37) | PRKCICA12MEN1ALDH1A1KMT2A | |
| SCHEMBL6675902 | 0.81 | BID (0.43) | MEN1ALDH1A1KMT2AHSD17B10CNR2 | |
| SCHEMBL11221193 | 0.80 | PPARA (0.46) | MEN1ALDH1A1KMT2AHSD17B10LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1503980-A2 | SUBSTITUTED HYDROXYETHYLAMINES | Elan Pharmaceuticals, Inc. (US) | 2005-02-09 | — | — | EP | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003072535-A2 | SUBSTITUTED HYDROXYETHYLAMINES | ELAN PHARMACEUTICALS, INC. (US) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |