Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 18/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.42 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
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 | 0.72 | TYMS (1.00) | TYMS | |
| SCHEMBL7827290 | 0.71 | TYMS (1.00) | TYMS | |
| SCHEMBL9518147 | 0.67 | PARP1 (0.64) | TYMSPARP1BMPR1BRAF1BRAF | |
| SCHEMBL7826115 | 0.67 | TYMS (0.63) | TYMSPARP1 | |
| SCHEMBL7822885 | 0.67 | TYMS (0.63) | TYMSPARP1 | |
| SCHEMBL7831279 | 0.66 | TYMS (0.64) | TYMSPARP1 | |
| SCHEMBL7827130 | 0.65 | TYMS (1.00) | TYMS | |
| SCHEMBL7826334 | 0.64 | PARP1 (0.60) | TYMSPARP1 | |
| SCHEMBL16306348 | 0.64 | PARP1 (0.61) | TYMSPARP1 | |
| SCHEMBL30838794 | 0.64 | PARP1 (1.00) | TYMSPARP1BMPR1BRAF1BRAF |
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 |