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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11833065 | 0.93 | CFTR (0.46) | CFTRGOPCGAAPKMMAPT | |
| SCHEMBL11832018 | 0.79 | CFTR (0.40) | CFTRGOPCGAAPKMMAPT | |
| SCHEMBL10554281 | 0.78 | PDK2 (0.53) | CFTRGOPCGAAPKMMAPT | |
| SCHEMBL31202620 | 0.78 | PDK2 (0.53) | CFTRGOPCGAAPKMMAPT | |
| SCHEMBL11831643 | 0.77 | PDK2 (0.46) | MAPTLMNAKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL11241768 | 0.76 | CFTR (0.46) | CFTRGOPCGAAPKMMAPT | |
| Acetic Acid SCHEMBL9529275 | 0.74 | SMN1; SMN2 (0.47) | CFTRGOPCGAAPKMMAPT | |
| SCHEMBL11838447 | 0.74 | PDK2 (0.43) | MAPTLMNAKMT2ATDP1SMN1; SMN2 | |
| SCHEMBL11840337 | 0.73 | PDK2 (0.43) | MAPTLMNAGPR55NPSR1POLB | |
| SCHEMBL11826152 | 0.73 | MEN1 (0.48) | GAAMAPTLMNAKMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295051-B1 | PREPARATION OF OXOPHTHALAZINYL ACETIC ACIDS HAVING BENZOTHIAZOLE OR OTHER HETEROCYCLIC SIDE CHAINS | PFIZER INC. (US) | 1993-06-09 | — | — | EP | disclosed |
| US-4900844-A | Intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains | PFIZER INC. (US) | 1990-02-13 | — | — | US | disclosed |
| US-4868301-A | Processes and intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains | PFIZER INC. (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0295051-A2 | Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains | PFIZER INC. (US) | 1988-12-14 | — | — | EP | disclosed |