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 | 2/20 | 0.34 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CDK4 | P11802 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | CAMK2D | Q13557 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL7656551 | 0.96 | TPH1 (0.37) | TPH1TPH2KDM4EALDH1A1HSD17B10 | |
| Acetic Acid SCHEMBL8368713 | 0.89 | STK33 (0.40) | KDM4EMAPTHTTMEN1KMT2A | |
| Acetic Acid SCHEMBL7659478 | 0.89 | CAMK2D (0.38) | MEN1KMT2ACAMK2DGSK3BKDR | |
| Acetic Acid SCHEMBL8366860 | 0.88 | STK33 (0.39) | TPH2HTTGAACAMK2DGSK3B | |
| Acetic Acid SCHEMBL7654310 | 0.88 | CAMK2D (0.43) | CAMK2DGSK3BKDR | |
| Acetic Acid SCHEMBL7661625 | 0.88 | CAMK2D (0.34) | MAPTMEN1KMT2ACAMK2DGSK3B | |
| Acetic Acid SCHEMBL7664677 | 0.87 | CAMK2D (0.33) | ALDH1A1HSD17B10CDK4CAMK2DGSK3B | |
| Acetic Acid SCHEMBL7659844 | 0.87 | CAMK2D (0.33) | MAPTMEN1KMT2ACAMK2DGSK3B | |
| Acetic Acid SCHEMBL7656316 | 0.87 | CAMK2D (0.37) | MEN1KMT2ACAMK2DGSK3BKDR | |
| Acetic Acid SCHEMBL8368566 | 0.86 | CAMK2D (0.37) | KDM4EALDH1A1HSD17B10MAPTGAA |
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 3 patents. 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 |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |