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 | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 3/20 | 0.36 |
| ▸ | TPH2 | Q8IWU9 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
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 SCHEMBL7658062 | 0.95 | ACKR3 (0.35) | TPH1TPH2CA12CA1CA9 | |
| Acetic Acid SCHEMBL7654521 | 0.91 | TPH1 (0.40) | TPH1TPH2CA12CA1CA9 | |
| Acetic Acid SCHEMBL7657914 | 0.89 | TP53 (0.39) | TPH1TPH2CA12CA1CA9 | |
| Acetic Acid SCHEMBL7662873 | 0.89 | CA12 (0.37) | CA12CA1CA9CA2ACKR3 | |
| Acetic Acid SCHEMBL7852409 | 0.87 | CA12 (0.36) | CA12CA1CA9CA2ACKR3 | |
| Acetic Acid SCHEMBL7656857 | 0.87 | CA12 (0.36) | CA12CA1CA9CA2ACKR3 | |
| Acetic Acid SCHEMBL7664748 | 0.87 | CA12 (0.36) | CA12CA1CA9CA2ACKR3 | |
| Acetic Acid SCHEMBL7656924 | 0.86 | PDE4A (0.39) | CA12CA1CA9CA2KDR | |
| Acetic Acid SCHEMBL7664776 | 0.85 | CAMK2D (0.43) | KDR | |
| Acetic Acid SCHEMBL7652592 | 0.85 | CA12 (0.35) | CA12CA1CA9CA2ACKR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |