Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 8/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743070 | 0.87 | CA1 (0.37) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL9744199 | 0.86 | CYP2D6 (0.43) | CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9840275 | 0.80 | CTSK (0.40) | CTSKCA1CA2CA7 | |
| SCHEMBL9743517 | 0.79 | CYP2D6 (0.42) | CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9743571 | 0.79 | CYP2D6 (0.42) | CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9744793 | 0.74 | MEN1 (0.38) | CTSKCA1CA2CA7CTSS | |
| SCHEMBL9744035 | 0.74 | CA1 (0.34) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL10580459 | 0.71 | CA1 (0.40) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL23048008 | 0.69 | CYP1A2 (0.42) | SMN1; SMN2CYP2C9CYP2C19CYP1A2HTT | |
| SCHEMBL11864461 | 0.69 | NPSR1 (0.41) | CYP2C9CYP2C19CYP2D6 |
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-5175344-A | Anticonvulsants, anxiolytic agents | CIBA-GEIGY CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| US-5051413-A | For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions | CIBA-GEIGY CORPORATION (US) | 1991-09-24 | — | — | US | disclosed |