Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | KLK7 | P49862 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8771387 | 0.89 | ALDH1A1 (0.61) | CYP2C19ALDH1A1EPHX2SMN1; SMN2 | |
| SCHEMBL26097411 | 0.86 | CYP2C19 (0.67) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL31504829 | 0.85 | CYP2C19 (0.58) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL11486045 | 0.85 | HTT (0.80) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL9410244 | 0.83 | CYP2C19 (0.68) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL26757980 | 0.83 | LMNA (0.78) | CYP2C19ALDH1A1MAOBLMNAKMT2A | |
| SCHEMBL11474969 | 0.81 | CYP2C19 (1.00) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| Hydrochloric Acid SCHEMBL11489984 | 0.81 | CYP2C19 (0.98) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL3540546 | 0.81 | CD274 (0.69) | CYP2C19ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL9760978 | 0.80 | CD274 (0.64) | CYP2C19ALDH1A1HTR1AMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620218-B1 | 2, 3-Dihydro-4(1H)-quinazolinones active in gastro-intestinal pathologies | ALFA WASSERMANN SPA (IT) | 1997-10-01 | — | — | EP | disclosed |
| US-5446152-A | Antiemetic agent | ALFA WASSERMANN S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| EP-0620218-A1 | Heterocyclic compounds active in gastro-intestinal pathologies | ALFA WASSERMANN S.p.A. (IT) | 1994-10-19 | — | — | EP | disclosed |