Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.83 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.65 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL9485616 | 0.89 | CYP2D6 (0.82) | CYP2D6NCOA1NCOA3 | |
| SCHEMBL8590355 | 0.86 | CYP2D6 (0.77) | CYP2D6 | |
| SCHEMBL8588709 | 0.86 | CYP2D6 (0.77) | CYP2D6NCOA1NCOA3 | |
| SCHEMBL7776412 | 0.84 | CYP2D6 (0.73) | CYP2D6 | |
| SCHEMBL9485127 | 0.83 | CYP2D6 (0.72) | CYP2D6 | |
| SCHEMBL8588945 | 0.82 | CYP2D6 (0.71) | CYP2D6NCOA1NCOA3 | |
| SCHEMBL8589775 | 0.82 | CYP2D6 (0.71) | CYP2D6 | |
| SCHEMBL9484400 | 0.81 | CYP2D6 (0.69) | CYP2D6NCOA1NCOA3 | |
| Methane SCHEMBL9484411 | 0.81 | CYP2D6 (0.66) | CYP2D6NCOA1NCOA3 | |
| SCHEMBL3059317 | 0.81 | NCOA1 (0.70) | CYP2D6NCOA1NCOA3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2704747-B2 | — | — | 1998-01-26 | — | — | JP | claimed |
| EP-0290558-B1 | ANTIFOLATE AGENTS | BTG INTERNATIONAL LIMITED (GB) | 1993-06-16 | — | — | EP | claimed |
| US-4992444-A | Antitumor agents, skin disorders | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1991-02-12 | — | — | US | claimed |
| EP-0290558-A1 | ANTIFOLATE AGENTS. | STEVENS MALCOLM FRANCIS GRAHAM (GB) | 1988-11-17 | — | — | EP | claimed |
| WO-1988004293-A1 | ANTIFOLATE AGENTS | STEVENS MALCOLM FRANCIS GRAHAM (GB) | 1988-06-16 | — | — | WO | claimed |
| EP-0290558-B1 | ANTIFOLATE AGENTS | BTG INTERNATIONAL LIMITED (GB) | 1993-06-16 | — | — | EP | disclosed |
| US-4992444-A | Antitumor agents, skin disorders | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1991-02-12 | — | — | US | disclosed |
| EP-0290558-A1 | ANTIFOLATE AGENTS. | STEVENS MALCOLM FRANCIS GRAHAM (GB) | 1988-11-17 | — | — | EP | disclosed |
| WO-1988004293-A1 | ANTIFOLATE AGENTS | STEVENS MALCOLM FRANCIS GRAHAM (GB) | 1988-06-16 | — | — | WO | disclosed |