Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7826662 | 0.87 | TYMS (1.00) | TYMS | |
| SCHEMBL7831197 | 0.82 | TYMS (1.00) | TYMSDHFR | |
| Hydrochloric Acid SCHEMBL28288310 | 0.75 | TYMS (0.97) | TYMS | |
| Nolatrexed SCHEMBL710461 | 0.74 | TYMS (1.00) | TYMSDHFR | |
| Nolatrexed SCHEMBL27935384 | 0.73 | TYMS (0.97) | TYMSDHFR | |
| Nolatrexed SCHEMBL316632 | 0.73 | TYMS (0.97) | TYMSDHFR | |
| Nolatrexed SCHEMBL29420099 | 0.73 | TYMS (0.97) | TYMSDHFR | |
| SCHEMBL7827290 | 0.72 | TYMS (1.00) | TYMS | |
| SCHEMBL27413637 | 0.68 | TYMS (0.53) | TYMS | |
| SCHEMBL7814946 | 0.65 | TYMS (0.56) | TYMS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637300-B1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMA (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0637300-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993020055-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-10-14 | — | — | WO | disclosed |