Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648388 | 0.89 | ALDH1A1 (0.42) | APAF1SMAD3ALOX5PTGESALDH1A1 | |
| SCHEMBL4738338 | 0.85 | SRD5A1 (0.43) | SRD5A1SRD5A2APAF1SMAD3ALOX5 | |
| SCHEMBL10429668 | 0.81 | SRD5A1 (0.61) | SRD5A1SRD5A2APAF1SMAD3ALDH1A1 | |
| SCHEMBL6673635 | 0.80 | HPGD (0.56) | ALDH1A1SMN1; SMN2HPGDTDP1KDM4E | |
| SCHEMBL7500172 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDTDP1KDM4E | |
| SCHEMBL21855441 | 0.76 | CDC7 (0.42) | ALDH1A1SMN1; SMN2HPGDTDP1KDM4E | |
| SCHEMBL14710227 | 0.76 | SRD5A1 (0.48) | SRD5A1SRD5A2SMN1; SMN2L3MBTL1TDP2 | |
| SCHEMBL6648373 | 0.73 | L3MBTL1 (0.42) | SRD5A1SRD5A2ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL23649905 | 0.73 | CYP1A2 (0.40) | SRD5A1SRD5A2ALOX5PTGESALDH1A1 | |
| SCHEMBL30121173 | 0.73 | CYP1A2 (0.40) | SRD5A1SRD5A2ALOX5PTGESALDH1A1 |
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 10 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 |
| 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 |