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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 SCHEMBL701791 | 1.00 | CYP1A2 (0.43) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL3821198 | 0.94 | CNR1 (0.42) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL27735890 | 0.93 | CNR1 (0.41) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL701792 | 0.76 | ALDH1A1 (0.41) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL700426 | 0.75 | RECQL (0.40) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL3905408 | 0.74 | TAAR1 (0.41) | ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL701757 | 0.73 | ALDH1A1 (0.50) | CYP1A2ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL10775446 | 0.71 | TDP1 (0.44) | TSHRALDH1A1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL3415393 | 0.71 | HTR2A (0.64) | MEN1KMT2A | |
| SCHEMBL4371628 | 0.71 | TAAR1 (0.56) | ALDH1A1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124621-B2 | Substituted 1-amino-4-phenyl-dihydroisoquinolines, methods for the production thereof, use thereof as a medicament, and medicaments containing them | SANOFI-AVENTIS (FR) | 2012-02-28 | — | — | US | disclosed |
| US-20090118327-A1 | SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090118327-A1 | SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM | NDUFAB1, ABCB11, SLC10A1 | CYP1A2 200/4885TSHR 2968/4885ALDH1A1 181/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.