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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.41 |
| ▸ | PRKCB | P05771 | 4/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | CAMK2D | Q13557 | 6/20 | 0.35 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | TPH1 | P17752 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7814686 | 0.86 | CAMK2D (0.48) | GSK3BCAMK2DRPS6KB1 | |
| Acetic Acid SCHEMBL7656316 | 0.85 | CAMK2D (0.37) | GSK3BPRKCBCAMK2DRPS6KB1 | |
| Acetic Acid SCHEMBL7666363 | 0.85 | CAMK2D (0.40) | GSK3BCAMK2DRPS6KB1 | |
| Acetic Acid SCHEMBL8515657 | 0.84 | POLB (0.38) | GSK3BCAMK2DRPS6KB1PTGDR2 | |
| Acetic Acid SCHEMBL8368713 | 0.83 | STK33 (0.40) | GSK3BFGFR1CAMK2DATM | |
| Acetic Acid SCHEMBL7659478 | 0.83 | CAMK2D (0.38) | GSK3BCAMK2D | |
| Acetic Acid SCHEMBL8368566 | 0.82 | CAMK2D (0.37) | GSK3BCAMK2DALDH1A1 | |
| Acetic Acid SCHEMBL8366860 | 0.82 | STK33 (0.39) | GSK3BCAMK2DTPH2 | |
| Acetic Acid SCHEMBL7661625 | 0.82 | CAMK2D (0.34) | GSK3BCAMK2DRPS6KB1 | |
| Acetic Acid SCHEMBL7654495 | 0.82 | GSK3B (0.34) | GSK3BCAMK2DRPS6KB1PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |