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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28493451 | 0.95 | MAPT (0.60) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL487360 | 0.95 | MAPT (0.54) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Methane SCHEMBL8806303 | 0.92 | MAPT (0.52) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL6511474 | 0.92 | MAPT (0.52) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL6517451 | 0.92 | MAPT (0.52) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL11162701 | 0.88 | HSD17B1 (0.64) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetic Acid SCHEMBL28009208 | 0.87 | MAPT (0.67) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetic Acid SCHEMBL27821774 | 0.87 | FFAR3 (0.47) | MAPTSMN1; SMN2ALDH1A1HSD17B10TDP1 | |
| Cyanate SCHEMBL27874992 | 0.84 | MAPT (0.45) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Fluorobenzene SCHEMBL6739200 | 0.83 | MAPT (0.53) | MAPTSMN1; SMN2HPGDRAB9ALMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5151540-A | THIO CARBAMATES AND THEIR DERIVATIVES | HOECHST CELANESE CORPORATION (US) | 1992-09-29 | — | — | US | disclosed |
| EP-0271307-B1 | METHOD FOR PRODUCING ALKENYLTHIOPHENOLS AND THEIR ESTERS | HOECHST CELANESE CORPORATION (US) | 1992-01-02 | — | — | EP | disclosed |
| US-4794205-A | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-12-27 | — | — | US | disclosed |
| US-4794205-A | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-12-27 | — | — | US | disclosed |
| EP-0271307-A2 | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-06-15 | — | — | EP | disclosed |
| EP-0271307-A2 | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-06-15 | — | — | EP | disclosed |
| EP-0269434-A1 | Method for producing aminothiophenols and their derivatives | HOECHST CELANESE CORPORATION (US) | 1988-06-01 | — | — | EP | disclosed |