Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.72 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.72 |
| ▸ | DHFR | P00374 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6359292 | 0.84 | NCOA1 (1.00) | NCOA1NCOA3CYP2D6 | |
| SCHEMBL6049524 | 0.80 | NCOA1 (0.50) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| Metoprine SCHEMBL3681 | 0.80 | NPC1 (0.54) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| Metoprine SCHEMBL29463675 | 0.80 | NPC1 (0.54) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| Metoprine SCHEMBL4529657 | 0.79 | NPC1 (0.53) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| SCHEMBL9566530 | 0.77 | DHFR (0.60) | NCOA1NCOA3DHFRMEN1ALDH1A1 | |
| SCHEMBL27612645 | 0.76 | DHFR (0.60) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| SCHEMBL6049511 | 0.76 | NCOA1 (0.46) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| SCHEMBL10999078 | 0.76 | ALDH1A1 (0.48) | NCOA1NCOA3DHFRCYP2D6TP53 | |
| SCHEMBL6049617 | 0.76 | NCOA1 (0.45) | NCOA1NCOA3DHFRCYP2D6TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0147443-A1 | PYRIMIDINE DERIVATIVES | Aston Molecules Limited (GB) | 1985-07-10 | — | — | EP | disclosed |
| WO-1984004746-A1 | PYRIMIDINE DERIVATIVES | UNIV BIRMINGHAM (GB) | 1984-12-06 | — | — | WO | disclosed |