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 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9502317 | 0.93 | SMN1; SMN2 (0.47) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL6271326 | 0.77 | NPSR1 (0.49) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL29502553 | 0.77 | NPSR1 (0.49) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL21325292 | 0.77 | NPSR1 (0.49) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL11848675 | 0.77 | CFTR (0.47) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL4028258 | 0.76 | NPSR1 (0.49) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL9975204 | 0.76 | CFTR (0.46) | SMN1; SMN2CFTRGOPCGAAPKM | |
| SCHEMBL9529272 | 0.76 | TDP2 (0.47) | SMN1; SMN2GAANPSR1CYP2C9CYP2C19 | |
| SCHEMBL10916824 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2CFTRGOPCGAAPKM | |
| Acetic Acid SCHEMBL9529245 | 0.74 | CFTR (0.45) | SMN1; SMN2CFTRGOPCGAAPKM |
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 |