Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 12/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | FPGS | Q05932 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9823478 | 0.96 | DHFR (0.44) | DHFRTYMSFPGS | |
| SCHEMBL9823362 | 0.86 | TYMS (0.33) | TYMS | |
| SCHEMBL9823281 | 0.84 | DHFR (0.56) | DHFRTYMSFPGS | |
| SCHEMBL9823234 | 0.82 | TYMS (0.33) | DHFRTYMS | |
| SCHEMBL9823195 | 0.80 | DHFR (0.45) | DHFRTYMSFPGS | |
| SCHEMBL9823278 | 0.80 | DHFR (0.47) | DHFRTYMSFPGS | |
| SCHEMBL9823104 | 0.80 | DHFR (0.44) | DHFRTYMSFPGS | |
| SCHEMBL9823610 | 0.77 | DHFR (0.74) | DHFRTYMS | |
| SCHEMBL9823454 | 0.76 | DHFR (0.55) | DHFRTYMS | |
| SCHEMBL9823481 | 0.76 | TYMS (0.43) | DHFRTYMS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0426666-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-05-15 | — | — | EP | disclosed |
| US-4857530-A | THYMIDYLATE SYNTHASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1989-08-15 | — | — | US | disclosed |
| EP-0316657-A1 | Substituted quinazolinones as anticancer agents | WARNER-LAMBERT COMPANY (US) | 1989-05-24 | — | — | EP | disclosed |
| WO-1989004307-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1989-05-18 | — | — | WO | disclosed |