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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | CAMK2D | Q13557 | 6/20 | 0.38 |
| ▸ | DHODH | Q02127 | 3/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | 0.94 | IGF1R (0.40) | IGF1RCAMK2DDHODHEGLN1MGAM | |
| Acetic Acid SCHEMBL7664648 | 0.89 | CAMK2D (0.39) | IGF1RCAMK2DPPARGPPARDPPARA | |
| Acetic Acid SCHEMBL7817718 | 0.89 | CAMK2D (0.39) | IGF1RCAMK2DEGLN1PPARGPPARD | |
| Acetic Acid SCHEMBL7654019 | 0.88 | EGLN1 (0.40) | IGF1RCAMK2DEGLN1PPARGPPARD | |
| Acetic Acid SCHEMBL8368547 | 0.87 | EGLN1 (0.48) | IGF1RCAMK2DDHODHEGLN1 | |
| Acetic Acid SCHEMBL8516791 | 0.86 | CAMK2D (0.50) | CAMK2D | |
| Acetic Acid SCHEMBL8516343 | 0.85 | GSK3B (0.41) | CAMK2D | |
| Acetic Acid SCHEMBL7656568 | 0.85 | CNR1 (0.38) | IGF1RPPARGPPARDPPARACNR1 | |
| Acetic Acid SCHEMBL7815433 | 0.84 | PPARG (0.40) | IGF1RCAMK2DEGLN1PPARGPPARD | |
| Acetic Acid SCHEMBL7815404 | 0.84 | MMP13 (0.41) | IGF1RCAMK2DEGLN1PPARGPPARD |
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 |