Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 17/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | FPGS | Q05932 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7975389 | 0.85 | TYMS (0.53) | TYMSFPGS | |
| SCHEMBL6652840 | 0.84 | TYMS (0.59) | TYMSPARP1 | |
| SCHEMBL6655392 | 0.84 | TYMS (0.65) | TYMSPARP1 | |
| SCHEMBL7258101 | 0.79 | TYMS (0.73) | TYMSFPGS | |
| SCHEMBL6654868 | 0.78 | TYMS (0.54) | TYMS | |
| SCHEMBL6650758 | 0.78 | TYMS (0.62) | TYMSPARP1 | |
| SCHEMBL6648873 | 0.77 | TYMS (0.53) | TYMS | |
| SCHEMBL6648735 | 0.76 | TYMS (0.58) | TYMS | |
| SCHEMBL6450940 | 0.76 | TYMS (0.53) | TYMS | |
| SCHEMBL6648846 | 0.76 | TYMS (0.52) | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762188-B1 | INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA | SMITHKLINE BEECHAM CORPORATION | 2004-07-13 | — | — | US | disclosed |
| EP-1199307-B1 | Pharmaceutically active benzoquinazoline compounds | WELLCOME FOUND (GB) | 2004-02-25 | — | — | EP | disclosed |
| EP-1199307-A1 | Pharmaceutically active benzoquinazoline compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 2002-04-24 | — | — | EP | disclosed |
| US-6306865-B1 | SYNTHASE INHIBITORS AND ANTITUMOR AGENTS | GLAXO WELLCOME INC. | 2001-10-23 | — | — | US | disclosed |
| US-6090941-A | Pharmaceutically active benzoquinazoline compounds | GLAXO WELLCOME INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5663337-A | ENZYME, ANTITUMOR | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5661155-A | THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS | GLAXO WELLCOME INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5405851-A | Administering benzoquinazoline thymidylate synthase inhibitors | BURROUGHS WELLCOME CO. (US) | 1995-04-11 | — | — | US | disclosed |
| WO-1991019700-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-26 | — | — | WO | disclosed |