Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.46 |
| ▸ | FNTB | P49356 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11565294 | 0.88 | AKR1C3 (0.50) | PTGS1AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL5110019 | 0.86 | PTGS1 (0.67) | PTGS1AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL14762502 | 0.82 | GRM4 (0.48) | PTGS1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2474521 | 0.79 | GAA (0.48) | PTGS1AKR1C3AKR1C2AKR1C1MAPT | |
| SCHEMBL2020322 | 0.78 | AKR1C3 (0.70) | PTGS1AKR1C3AKR1C2AKR1C1KDM4E | |
| SCHEMBL507026 | 0.78 | CYP19A1 (0.47) | PTGS1MEN1KMT2ACYP2D6FNTA | |
| SCHEMBL14280733 | 0.77 | PTGS1 (0.51) | PTGS1AKR1C3AKR1C2AKR1C1MEN1 | |
| Water SCHEMBL11762220 | 0.76 | PTGS1 (0.54) | PTGS1AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL28575917 | 0.76 | PTGS1 (0.56) | PTGS1AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL22889052 | 0.75 | CYP19A1 (0.45) | PTGS1MEN1KMT2ACYP2D6FNTA |
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 |