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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1618533 | 0.86 | — | — | |
| SCHEMBL7570559 | 0.84 | — | — | |
| Isopropylamine SCHEMBL8330963 | 0.81 | ACHE (0.42) | ACHELMNAALDH1A1TSHRPPARD | |
| SCHEMBL8330545 | 0.77 | ACHE (0.47) | ACHELMNAALDH1A1TSHRPPARD | |
| Acetic Acid SCHEMBL11324097 | 0.71 | FFAR3 (0.33) | — | |
| Diethyl Hydrogen Phosphate SCHEMBL376684 | 0.71 | TSHR (0.46) | LMNAALDH1A1TSHRPPARDTP53 | |
| Acetic Acid SCHEMBL29065194 | 0.69 | FFAR3 (0.54) | LMNAALDH1A1TDP1 | |
| Acetic Acid SCHEMBL29065195 | 0.69 | — | — | |
| Acetic Acid SCHEMBL10802764 | 0.69 | FFAR3 (0.54) | LMNAALDH1A1TDP1 | |
| Acetic Acid SCHEMBL8175649 | 0.69 | FFAR3 (0.54) | LMNAALDH1A1TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948506-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | claimed |
| US-5935542-A | Cyanphosphonate derivatives and method for their preparation | MONSANTO COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| WO-1998029422-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | claimed |
| EP-0948506-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5935542-A | Cyanphosphonate derivatives and method for their preparation | MONSANTO COMPANY (US) | 1999-08-10 | — | — | US | disclosed |
| WO-1998029422-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |