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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703431 | 0.82 | TSHR (0.35) | TSHR | |
| Trichloroacetic Acid SCHEMBL10888356 | 0.79 | TSHR (0.50) | TSHRALDH1A1 | |
| SCHEMBL8891491 | 0.76 | — | — | |
| Chloroacetone SCHEMBL28203344 | 0.72 | — | — | |
| Chloroacetic Acid SCHEMBL444733 | 0.72 | — | — | |
| Acetic Acid SCHEMBL28343178 | 0.71 | FFAR3 (0.64) | TSHRFFAR3LCKFYNBLM | |
| Acetic Acid SCHEMBL282406 | 0.71 | — | — | |
| Acetic Acid SCHEMBL2706810 | 0.71 | FFAR3 (0.64) | TSHRFFAR3LCKFYNBLM | |
| Acetic Acid SCHEMBL5035361 | 0.71 | — | — | |
| Acetic Acid SCHEMBL8785366 | 0.71 | FFAR3 (0.64) | TSHRFFAR3LCKFYNBLM |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4128580-A | Process for the production of 1,3-dichloroacetone oxime and its acetate derivative | STAUFFER CHEMICAL COMPANY (US) | 1978-12-05 | — | — | US | claimed |
| US-4010277-A | SLIMICIDES | BETZ LABORATORIES, INC. (US) | 1977-03-01 | — | — | US | claimed |
| US-3994772-A | KLEBSIELLA, A-BROMO-P-METHYLACETOPHENONE, 1,3-DICHLOROACETONE OXIME ACETATE | BETZ LABORATORIES, INC. (US) | 1976-11-30 | — | — | US | claimed |
| US-3962456-A | 1,3-DICHLOROACETONE OXIME ACETATE AND B-BROMO-B-NITROSTYRENE | BETZ LABORATORIES, INC. (US) | 1976-06-08 | — | — | US | claimed |
| US-3947581-A | SLIMICIDES | BETZ LABORATORIES, INC. (US) | 1976-03-30 | — | — | US | claimed |
| US-3934025-A | 1,3-DICHLOROACETONE OXIME ACETATE | BETZ LABORATORIES, INC. (US) | 1976-01-20 | — | — | US | claimed |
| US-20080185022-A1 | Exterior surface cleaner and method of use | DUDJAK SCOTT B | 2008-08-07 | — | — | US | disclosed |
| US-20050087216-A1 | Applying alkylbenzyldimethylammonium chloride to surface stained as a result of biological growth algae (Gloeocapsa) , lichen or moss; roofs, buildings, walls | DUDJAK SCOTT B (US) | 2005-04-28 | — | — | US | disclosed |
| EP-0058274-A1 | Algicidal composition and method of controlling the growth of algal microorganisms in aqueous systems | BETZ EUROPE, INC. (US) | 1982-08-25 | — | — | EP | disclosed |
| US-4128580-A | Process for the production of 1,3-dichloroacetone oxime and its acetate derivative | STAUFFER CHEMICAL COMPANY (US) | 1978-12-05 | — | — | US | disclosed |
| US-4128580-A | Process for the production of 1,3-dichloroacetone oxime and its acetate derivative | STAUFFER CHEMICAL COMPANY (US) | 1978-12-05 | — | — | US | disclosed |
| US-4010277-A | SLIMICIDES | BETZ LABORATORIES, INC. (US) | 1977-03-01 | — | — | US | disclosed |
| US-4010277-A | SLIMICIDES | BETZ LABORATORIES, INC. (US) | 1977-03-01 | — | — | US | disclosed |
| US-3947581-A | SLIMICIDES | BETZ LABORATORIES, INC. (US) | 1976-03-30 | — | — | US | disclosed |
| US-3934025-A | 1,3-DICHLOROACETONE OXIME ACETATE | BETZ LABORATORIES, INC. (US) | 1976-01-20 | — | — | US | disclosed |
| US-3934025-A | 1,3-DICHLOROACETONE OXIME ACETATE | BETZ LABORATORIES, INC. (US) | 1976-01-20 | — | — | US | disclosed |
| US-3930015-A | Slimicidal compositions containing 2,2-dibromo-3-nitrilopropionamide and their use | BETZ LABORATORIES | 1975-12-30 | — | — | US | disclosed |
| US-3904764-A | Slimicidal compositions containing bis (trichloromethyl) sulfone and their use | BETZ LABORATORIES | 1975-09-09 | — | — | US | disclosed |
| US-3903296-A | Slimicidal compositions containing pentachlorophenol and their use | BETZ LABORATORIES | 1975-09-02 | — | — | US | disclosed |
| US-3903279-A | Slime control compositions containing N-(2 nitrobutyl)-morpholine and their use | BETZ LABORATORIES | 1975-09-02 | — | — | US | disclosed |