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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP2 | O95551 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 5/20 | 0.39 |
| ▸ | CDC25B | P30305 | 5/20 | 0.37 |
| ▸ | PTPRC | P08575 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL388585 | 0.89 | TDP2 (0.48) | TDP1KDM4ETDP2BLMNSD2 | |
| SCHEMBL300666 | 0.78 | TDP2 (0.46) | TDP1KDM4ETDP2BLMNSD2 | |
| Benzoic Acid SCHEMBL1879517 | 0.75 | NAPRT (0.45) | TDP1KDM4EBLMCES1MEN1 | |
| Acetic Acid SCHEMBL5323363 | 0.73 | TDP2 (0.76) | TDP1KDM4ETDP2BLMNSD2 | |
| Acetic Acid SCHEMBL2592380 | 0.70 | TDP2 (0.70) | TDP1KDM4ETDP2BLMNSD2 | |
| SCHEMBL32689420 | 0.65 | TDP1 (0.39) | TDP1KDM4ETDP2BLMNSD2 | |
| Acetic Acid SCHEMBL27519181 | 0.65 | MEN1 (0.52) | TDP1KDM4EBLMNSD2MEN1 | |
| SCHEMBL32689421 | 0.64 | TDP1 (0.38) | TDP1KDM4ETDP2BLMNSD2 | |
| SCHEMBL1895059 | 0.62 | TDP1 (0.37) | TDP1KDM4ETDP2BLMNSD2 | |
| Acetic Acid SCHEMBL7464988 | 0.62 | ALDH1A1 (0.54) | TDP1KDM4EBLMCES1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1025855-C | Process and intermediates for prepation of oxophthalazinyl acetic acids and analogs thereof | PFIZER (US) | 1994-09-07 | — | — | CN | disclosed |
| US-5182391-A | Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof | PFIZER INC. (US) | 1993-01-26 | — | — | US | disclosed |
| US-5171862-A | Process and indazole intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof | PFIZER INC. (US) | 1992-12-15 | — | — | US | disclosed |
| US-5075442-A | Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof | PFIZER INC. (US) | 1991-12-24 | — | — | US | disclosed |
| EP-0397350-A1 | Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof | PFIZER INC. (US) | 1990-11-14 | — | — | EP | disclosed |
| US-4954629-A | Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof | PFIZER INC. (US) | 1990-09-04 | — | — | US | disclosed |