Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.76 |
| ▸ | TYMS | P04818 | 2/20 | 0.69 |
| ▸ | ATIC | P31939 | 2/20 | 0.60 |
| ▸ | GART | P22102 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL9216925 | 0.93 | TYMS (0.70) | DHFRTYMS | |
| SCHEMBL9216827 | 0.93 | TYMS (0.70) | DHFRTYMS | |
| SCHEMBL9225234 | 0.91 | DHFR (0.63) | DHFRTYMSATICGART | |
| SCHEMBL9224063 | 0.91 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL9501327 | 0.91 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL29363552 | 0.91 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL29359823 | 0.91 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL9223936 | 0.91 | TYMS (0.68) | DHFRTYMS | |
| SCHEMBL9225746 | 0.91 | TYMS (0.83) | DHFRTYMS | |
| SCHEMBL7258363 | 0.88 | DHFR (0.86) | DHFRTYMSATICGART |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5444061-A | Antitumor agents | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1995-08-22 | — | — | US | claimed |
| WO-1992016512-A1 | ANTI-CANCER COMPOUNDS | BRITISH TECHNOLOGY GROUP PLC (GB) | 1992-10-01 | — | — | WO | claimed |
| US-5444061-A | Antitumor agents | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| WO-1992016512-A1 | ANTI-CANCER COMPOUNDS | BRITISH TECHNOLOGY GROUP PLC (GB) | 1992-10-01 | — | — | WO | disclosed |