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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | THPO | P40225 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
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 SCHEMBL19837822 | 0.90 | LMNA (0.43) | FFAR3LCKFYNALDH1A1TSHR | |
| Oxalic Acid SCHEMBL10737273 | 0.87 | ALOX15 (0.40) | ALDH1A1TSHRLMNAALOX15PTGS1 | |
| Oxalic Acid SCHEMBL919497 | 0.87 | ALOX15 (0.40) | ALDH1A1TSHRLMNAALOX15PTGS1 | |
| Pivalate SCHEMBL10759742 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRLMNAALOX15PTGS1 | |
| Oxalic Acid SCHEMBL1233371 | 0.84 | ALOX15 (0.39) | ALDH1A1TSHRLMNAALOX15PTGS1 | |
| Trifluoroacetic Acid SCHEMBL6576795 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAALOX15MAPT | |
| Acetic Acid SCHEMBL11785474 | 0.78 | — | — | |
| Acetic Acid SCHEMBL3143927 | 0.76 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL283399 | 0.76 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Tert-Butylamine SCHEMBL289315 | 0.74 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767661-A4 | AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS | SANOFI WINTHROP INC (US) | 1998-06-10 | — | — | EP | disclosed |
| EP-0767661-A1 | AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS | SANOFI WINTHROP, INC. (US) | 1997-04-16 | — | — | EP | disclosed |
| US-5565430-A | Azaaspartic acid analogs as interleukin-1β converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1996-10-15 | — | — | US | disclosed |
| WO-1996003982-A1 | AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS | SANOFI WINTHROP, INC. (US) | 1996-02-15 | — | — | WO | disclosed |
| EP-0169375-B1 | PROCESS FOR PRODUCING 2-TERT.-BUTYL-4,5-DICHLORO-3(2H)-PYRIDAZINONE | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-12-20 | — | — | EP | disclosed |
| US-4692269-A | BLOWING AGENTS; CLOSED-CELL FOAMS | PENNWALT CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |
| EP-0220751-A2 | Foamable and cross-linkable unsaturated polyester composition | PENNWALT CORPORATION (US) | 1987-05-06 | — | — | EP | disclosed |
| EP-0220364-A2 | Reaction of certain hydrazide compounds with free radical initiators to produce crosslinked polymer foams | PENNWALT CORPORATION (US) | 1987-05-06 | — | — | EP | disclosed |
| EP-0219595-A2 | A gas-realising composition for tailoring gas evolution of system | PENNWALT CORPORATION (US) | 1987-04-29 | — | — | EP | disclosed |
| EP-0216990-A2 | Foaming and vulcanizing of elastomeric polymers | PENNWALT CORPORATION (US) | 1987-04-08 | — | — | EP | disclosed |
| US-4636528-A | Foaming of unsaturated polyester resin at elevated temperatures | PENNWALT CORPORATION (US) | 1987-01-13 | — | — | US | disclosed |
| US-4607059-A | T-ALKYLHYDROZINIUM SALT OR CARBONYLHYDRAZINE, METAL OXIDE, SULFUR OR SULFUR DONOR COMPOUND | PENNWALT CORPORATION (US) | 1986-08-19 | — | — | US | disclosed |
| US-4607060-A | FREE RADICAL CATALYSIS | PENNWALT CORPORATION (US) | 1986-08-19 | — | — | US | disclosed |
| US-4588752-A | CLOSED-CELL, TERT-ALKYLHYDRAZINIUM SALT OR HYDRAZIDE FOAMING AGENT | PENNWALT CORPORATION (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0169375-A2 | Process for producing 2-tert.-butyl-4,5-dichloro-3(2H)-pyridazinone | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |
| EP-0106938-A2 | Reaction of t-alkylhydrazinium salts and organic peroxides to foam unsaturated polyester resins | PENNWALT CORPORATION (US) | 1984-05-02 | — | — | EP | disclosed |
| US-4393148-A | IRON OR COPPER COMPOUND AS PROMOTER | PENNWALT CORPORATION (US) | 1983-07-12 | — | — | US | disclosed |