Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | GART | P22102 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724176 | 1.00 | TYMS (0.38) | TYMSDHFRGARTKDRP2RY12 | |
| SCHEMBL6885924 | 0.87 | TYMS (0.37) | TYMSDHFRGARTKDRP2RY12 | |
| SCHEMBL6885928 | 0.87 | TYMS (0.37) | TYMSDHFRGARTKDRP2RY12 | |
| SCHEMBL9379559 | 0.84 | L3MBTL1 (0.47) | TYMSDHFRGART | |
| SCHEMBL9379564 | 0.84 | L3MBTL1 (0.47) | TYMSDHFRGART | |
| SCHEMBL6885646 | 0.84 | POLB (0.41) | TYMSDHFRGARTTDP1CYP3A4 | |
| SCHEMBL6885650 | 0.84 | POLB (0.41) | TYMSDHFRGARTTDP1CYP3A4 | |
| SCHEMBL9556071 | 0.84 | P2RY12 (0.39) | P2RY12TDP1 | |
| SCHEMBL9556079 | 0.84 | P2RY12 (0.39) | P2RY12TDP1 | |
| SCHEMBL15686202 | 0.82 | P2RY12 (0.37) | P2RY12TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |