Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15269338 | 1.00 | CA1 (0.41) | CA1CA2CA7TDP1CYP2D6 | |
| SCHEMBL13827740 | 0.83 | CA1 (0.44) | CA1CA2CA7TDP1CYP2D6 | |
| SCHEMBL23006817 | 0.81 | CA1 (0.43) | CA1CA2CA7TDP1CYP2D6 | |
| SCHEMBL22363931 | 0.79 | CA1 (0.41) | CA1CA2CA7TDP1CYP2D6 | |
| SCHEMBL29059253 | 0.77 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL29130087 | 0.77 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL15562350 | 0.77 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL57379 | 0.77 | TDP1 (0.46) | CA1CA2CA7TDP1CYP2D6 | |
| SCHEMBL23676364 | 0.75 | CA1 (0.33) | CA1CA2CA7CYP2D6MEN1 | |
| SCHEMBL21261831 | 0.74 | TDP1 (0.42) | CA1CA2CA7TDP1CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3292124-A2 | FUSED PYRIDINES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-03-14 | — | — | EP | disclosed |