Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | GRK5 | P34947 | 1/20 | 0.30 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | PRKX | P51817 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9817743 | 0.80 | MEN1 (0.36) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL6311889 | 0.79 | ALDH1A1 (0.36) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9539333 | 0.74 | CES2 (0.37) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9555905 | 0.74 | THRB (0.32) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL6308181 | 0.73 | TPMT (0.34) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL11042857 | 0.73 | CHRM2 (0.45) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL10965940 | 0.72 | ALDH1A1 (0.38) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9731664 | 0.72 | ALDH1A1 (0.36) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL6648900 | 0.72 | HPGD (0.34) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| Bicarbonate SCHEMBL9731441 | 0.70 | — | — |
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 13 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-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 |
| US-5187167-A | Antitumor agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-16 | — | — | US | disclosed |
| US-5081124-A | Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-14 | — | — | US | disclosed |
| WO-1991019700-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-26 | — | — | WO | disclosed |
| EP-0239362-B1 | ANTI-TUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | disclosed |
| EP-0239362-A2 | Anti-tumor agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-09-30 | — | — | EP | disclosed |