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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.69 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.69 |
| ▸ | FPR2 | P25090 | 12/20 | 0.38 |
| ▸ | FPR1 | P21462 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415142 | 0.97 | ITGB3 (0.73) | ITGB3ITGA2BFPR2FPR1POLB | |
| Trifluoroacetic Acid SCHEMBL7411886 | 0.93 | ITGB3 (0.65) | ITGB3ITGA2BFPR2FPR1 | |
| Acetic Acid SCHEMBL7418347 | 0.90 | ITGB3 (0.54) | ITGB3ITGA2BFPR2FPR1 | |
| SCHEMBL7449818 | 0.88 | ITGB3 (0.70) | ITGB3ITGA2BFPR2FPR1POLB | |
| Hydrochloric Acid SCHEMBL7447965 | 0.88 | ITGB3 (0.69) | ITGB3ITGA2BFPR2FPR1POLB | |
| SCHEMBL7413115 | 0.87 | ITGB3 (0.55) | ITGB3ITGA2BFPR2FPR1 | |
| SCHEMBL7446837 | 0.86 | ITGB3 (0.67) | ITGB3ITGA2BFPR2FPR1POLB | |
| SCHEMBL7448710 | 0.85 | ITGB3 (0.71) | ITGB3ITGA2BFPR2FPR1POLB | |
| Orbofiban SCHEMBL7417473 | 0.85 | ITGB3 (0.95) | ITGB3ITGA2BFPR2FPR1PRSS1 | |
| SCHEMBL7455162 | 0.84 | ITGB3 (0.67) | ITGB3ITGA2BFPR2FPR1POLB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1068183-A2 | PROCESS FOR THE PREPARATION OF A 2-OXOPYRROLIDINE COMPOUND | G.D. SEARLE & CO. (US) | 2001-01-17 | — | — | EP | disclosed |
| EP-0796245-B1 | PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE BETA-ALANINE UREA ANALOGS | SEARLE & CO (US) | 2000-07-26 | — | — | EP | disclosed |
| US-5986107-A | Process for the preparation of a 2-oxopyrrolidine compound | G. D. SEARLE & CO. (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1999051573-A2 | PROCESS FOR THE PREPARATION OF A 2-OXOPYRROLIDINE COMPOUND | G.D. SEARLE & CO. (US) | 1999-10-14 | — | — | WO | disclosed |
| US-5659063-A | AMINE-BLOCKED METHIONINE ANALOG CYCLIZABLE TO A LACTAM IN NONVOLATILE OR NONTOXIC REAGENTS; ANTITHROMBOTIC AGENTS | G. D. SEARLE & CO. (US) | 1997-08-19 | — | — | US | disclosed |
| US-5610296-A | CHEMICAL INTERMEDIATES OF ANTITHROMBOTICS | G. D. SEARLE & CO. (US) | 1997-03-11 | — | — | US | disclosed |
| US-5576447-A | Process for the preparation of amidino phenyl pyrrolidine β-alanine urea analogs | G. D. SEARLE & CO. (US) | 1996-11-19 | — | — | US | disclosed |
| WO-1996017827-A1 | PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE β-ALANINE UREA ANALOGS | G.D. SEARLE & CO. (US) | 1996-06-13 | — | — | WO | disclosed |
| US-5484946-A | CYCLIZATION AND DEHYDRATION A METHIONINE DERIVATIVE | G. D. SEARLE & CO. (US) | 1996-01-16 | — | — | US | disclosed |