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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678327 | 0.73 | CRBN (0.41) | CRBNALDH1A1MAPTPOLBTOP2A | |
| Acetic Acid SCHEMBL27607093 | 0.71 | CRBN (0.77) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| SCHEMBL6063987 | 0.64 | CRBN (0.46) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| Acetic Acid SCHEMBL31335150 | 0.63 | CRBN (0.39) | CRBNALDH1A1MAPT | |
| Succinimide SCHEMBL11381109 | 0.62 | CRBN (0.65) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| SCHEMBL2064741 | 0.61 | CRBN (0.42) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| SCHEMBL791534 | 0.61 | PKM (0.50) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| SCHEMBL27621585 | 0.61 | TOP2A (0.40) | CRBNALDH1A1MAPTTOP2ATOP2B | |
| SCHEMBL8345781 | 0.61 | TSHR (0.39) | CRBNALDH1A1POLBKMT2A | |
| SCHEMBL26916031 | 0.58 | PKM (0.47) | CRBNALDH1A1MAPTTOP2ATOP2B |
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-1366025-A1 | AGONISTS OF BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002070490-A1 | AGONISTS OF BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 2002-09-12 | — | — | WO | disclosed |