Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014737 | 0.82 | TYMS (0.40) | TYMSAKR1C3SLC6A4GRM5PNMT | |
| SCHEMBL30748420 | 0.81 | PNMT (0.51) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL2728148 | 0.81 | PNMT (0.51) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL30018898 | 0.74 | DRD2 (0.51) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL2086321 | 0.74 | DRD2 (0.51) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL8669783 | 0.74 | TSHR (0.40) | TYMSCYP11B1CYP11B2AKR1C3SLC6A4 | |
| SCHEMBL9432052 | 0.74 | ALDH1A1 (0.41) | TYMSAKR1C3SLC6A4GRM5PNMT | |
| SCHEMBL5547927 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL6979260 | 0.72 | GRM5 (0.62) | TYMSCYP1A2CYP11B1CYP11B2GRM5 | |
| SCHEMBL571181 | 0.71 | RAB9A (0.38) | TYMSCYP1A2CYP3A4SLC6A4GRM5 |
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 12 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 |
| CN-1049215-C | Process for preparing benzoquinazoline thymidylate synthase inhibitors | WELLOCOME FOUNDATION LTD (GB) | 2000-02-09 | — | — | CN | 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 |
| CN-1058208-A | PHARMACEUTICAL COMPOUNDS | WELLCOME FOUND (GB) | 1992-01-29 | — | — | CN | disclosed |
| WO-1991019700-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-26 | — | — | WO | disclosed |