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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.41 |
| ▸ | QPCT | Q16769 | 6/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CAMK2D | Q13557 | 6/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
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 SCHEMBL8516733 | 0.91 | IGF1R (0.40) | CAMK2DKDR | |
| Acetic Acid SCHEMBL8516086 | 0.89 | CAMK2D (0.38) | GSK3BCAMK2DKDR | |
| Acetic Acid SCHEMBL8515892 | 0.89 | CAMK2D (0.45) | GSK3BQPCTCAMK2D | |
| Acetic Acid SCHEMBL8516791 | 0.89 | CAMK2D (0.50) | GSK3BCAMK2DKDR | |
| Acetic Acid SCHEMBL7653991 | 0.88 | GSK3B (0.44) | GSK3BQPCTPRKD1TDP1CAMK2D | |
| Acetic Acid SCHEMBL7658926 | 0.87 | PDE4B (0.45) | GSK3BQPCTPRKD1TDP1CAMK2D | |
| Acetic Acid SCHEMBL8516976 | 0.86 | CAMK2D (0.47) | CAMK2D | |
| Acetic Acid SCHEMBL8362801 | 0.86 | PDE4B (0.43) | GSK3BQPCTPRKD1TDP1CAMK2D | |
| Acetic Acid SCHEMBL8516991 | 0.86 | CAMK2D (0.38) | GSK3BQPCTTDP1CAMK2D | |
| Acetic Acid SCHEMBL8365277 | 0.85 | BDKRB2 (0.38) | CAMK2D |
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 |