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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8305735 | 0.81 | CYP1A2 (0.34) | L3MBTL1MAPK1KDM4EALDH1A1LMNA | |
| Acetic Acid SCHEMBL8306061 | 0.79 | L3MBTL1 (0.34) | L3MBTL1MAPK1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8300493 | 0.74 | ALDH1A1 (0.39) | MAPK1ALDH1A1LMNAPOLBSMN1; SMN2 | |
| SCHEMBL8300757 | 0.73 | LMNA (0.32) | L3MBTL1MAPK1KDM4EHDAC8ALDH1A1 | |
| SCHEMBL8434188 | 0.72 | L3MBTL1 (0.38) | L3MBTL1MAPK1KDM4EALDH1A1LMNA | |
| SCHEMBL9033856 | 0.67 | RAB9A (0.38) | L3MBTL1MAPK1KDM4EALDH1A1LMNA | |
| SCHEMBL14389910 | 0.66 | LMNA (0.46) | MAPK1KDM4EALDH1A1LMNAPOLB | |
| SCHEMBL17918582 | 0.66 | KMT2A (0.45) | L3MBTL1MAPK1KDM4EHDAC8TSHR | |
| SCHEMBL27492109 | 0.66 | GAA (0.54) | L3MBTL1MAPK1KDM4EALDH1A1LMNA | |
| SCHEMBL11037027 | 0.64 | ALDH1A1 (0.42) | L3MBTL1MAPK1ALDH1A1LMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944621-A1 | 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023610-A1 | 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |