Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8261591 | 0.82 | TYMS (0.59) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL6843037 | 0.78 | TYMS (0.55) | TYMS | |
| SCHEMBL6648692 | 0.74 | TYMS (1.00) | TYMS | |
| SCHEMBL4737438 | 0.74 | TYMS (0.47) | TYMSPARP10PARP11 | |
| SCHEMBL31268305 | 0.70 | SRD5A1 (0.64) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL204100 | 0.70 | SRD5A1 (0.64) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL14148121 | 0.70 | TYMS (0.63) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL14148437 | 0.68 | TYMS (0.56) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL4737413 | 0.67 | TYMS (0.46) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 | |
| SCHEMBL4740750 | 0.67 | TYMS (0.46) | TYMSCYP19A1CYP11B1CYP11B2SRD5A1 |
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 6 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 |
| EP-0535034-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-04-07 | — | — | EP | disclosed |
| WO-1991019700-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-26 | — | — | WO | disclosed |