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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.85 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.77 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10636729 | 0.98 | SMN1; SMN2 (0.85) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL6624321 | 0.92 | SMN1; SMN2 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL888337 | 0.92 | SMN1; SMN2 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL888508 | 0.92 | SMN1; SMN2 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9069692 | 0.91 | SMN1; SMN2 (0.98) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9069690 | 0.91 | SMN1; SMN2 (0.98) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL888465 | 0.87 | CHRNA1 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL888464 | 0.87 | CHRNA1 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| SCHEMBL888580 | 0.87 | CHRNA1 (1.00) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10483912 | 0.86 | CHRNA1 (0.98) | SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4774247-A | Nitromethylene derivative insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-09-27 | — | — | US | disclosed |