Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.64 |
| ▸ | ADH5 | P11766 | 5/20 | 0.60 |
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.54 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10574724 | 0.81 | CYP3A4 (0.74) | CYP3A4BAZ2BADH5MAOBHTT | |
| SCHEMBL3301878 | 0.80 | ADH5 (0.60) | CYP3A4BAZ2BADH5MAOBHTT | |
| SCHEMBL3301874 | 0.80 | ADH5 (0.60) | CYP3A4BAZ2BADH5MAOBHTT | |
| SCHEMBL3301872 | 0.80 | ADH5 (0.60) | CYP3A4BAZ2BADH5MAOBHTT | |
| SCHEMBL62049 | 0.80 | ADH5 (0.90) | CYP3A4BAZ2BADH5HTTHTR2A | |
| Acrylic Acid SCHEMBL28324903 | 0.79 | CYP3A4 (0.70) | CYP3A4BAZ2BADH5HTTHTR2A | |
| SCHEMBL10363643 | 0.78 | CYP3A4 (0.53) | CYP3A4BAZ2BADH5HTTHTR2A | |
| SCHEMBL4661827 | 0.78 | CYP3A4 (0.53) | CYP3A4BAZ2BADH5HTTHTR2A | |
| Hydrochloric Acid SCHEMBL6152702 | 0.78 | ADH5 (0.87) | CYP3A4BAZ2BADH5HTTHTR2A | |
| SCHEMBL3097162 | 0.78 | CYP3A4 (0.70) | CYP3A4BAZ2BADH5MAOBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5021436-A | Antiulcer, anticoagulant, antiischaemic agent | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1991-06-04 | — | — | US | disclosed |
| EP-0233228-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987000836-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1987-02-12 | — | — | WO | disclosed |