Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 7/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11446152 | 0.90 | GRIA4 (0.46) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11445379 | 0.89 | GRIA4 (0.41) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11445854 | 0.88 | GRIA4 (0.44) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11446336 | 0.88 | PPARG (0.44) | CYP2C19CYP1A2CYP2C9GRIA4NPSR1 | |
| SCHEMBL11445305 | 0.87 | GRIA4 (0.47) | CYP2C19CYP1A2CYP2C9GRIA4NPSR1 | |
| SCHEMBL11446800 | 0.87 | GRIA4 (0.41) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11447264 | 0.86 | GRIA4 (0.44) | CYP2C19CYP1A2CYP2C9GRIA4NPSR1 | |
| SCHEMBL11445631 | 0.86 | GRIA4 (0.40) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11464739 | 0.86 | GRIA4 (0.42) | GRIA4NPSR1PPARGPPARAMAPT | |
| SCHEMBL11446794 | 0.84 | PPARG (0.45) | CYP2C19CYP1A2CYP2C9GRIA4NPSR1 |
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-4191776-A | ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS | BOEHRINGER INGELHEIM GMBH (DE) | 1980-03-04 | — | — | US | disclosed |
| US-3993683-A | ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-11-23 | — | — | US | disclosed |