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 | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28168932 | 0.97 | HTR6 (0.60) | HTR6RAD52TDP1AKR1C3GLA | |
| SCHEMBL5692118 | 0.89 | HTR6 (0.72) | HTR6RAD52TDP1ALDH1A1KDM4E | |
| SCHEMBL31277049 | 0.89 | HTR6 (0.72) | HTR6RAD52TDP1ALDH1A1KDM4E | |
| SCHEMBL5830485 | 0.89 | HTR6 (0.72) | HTR6RAD52TDP1ALDH1A1KDM4E | |
| SCHEMBL2681516 | 0.81 | HTR6 (0.54) | HTR6RAD52TDP1ALDH1A1LMNA | |
| SCHEMBL4544185 | 0.79 | HTR6 (0.54) | HTR6RAD52TDP1ALDH1A1KDM4E | |
| SCHEMBL5831909 | 0.79 | HTR6 (0.69) | HTR6RAD52TDP1ALDH1A1HPGD | |
| SCHEMBL5831905 | 0.79 | HTR6 (0.69) | HTR6RAD52TDP1ALDH1A1HPGD | |
| SCHEMBL4544187 | 0.79 | HTR6 (0.54) | HTR6RAD52TDP1ALDH1A1KDM4E | |
| SCHEMBL1454609 | 0.75 | HTR6 (0.63) | HTR6RAD52TDP1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5290817-A | Antiinflammatory, antiallergenic agents | THE DU PONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-01 | — | — | US | disclosed |
| US-4167640-A | 5-Fluoro-2-methyl-ind-1-ene-3-acetic acid | MERCK & CO., INC. (US) | 1979-09-11 | — | — | US | disclosed |
| US-4123457-A | 2-Methyl-5-fluoro-indanol-3-acetic acid | MERCK & CO., INC. (US) | 1978-10-31 | — | — | US | disclosed |
| US-3998875-A | PROCESS OF PREPARING 5-FLUORO-2-METHYL-1-(PARAMETHYLSULFINYLBENZYLIDENE)-INDENYL-3-ACETIC ACID | MERCK & CO., INC. (US) | 1976-12-21 | — | — | US | disclosed |