Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.31 |
| ▸ | TTK | P33981 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27851720 | 0.86 | CYP2A6 (0.37) | CYP2A6HDAC1ALDH1A1MEN1GAA | |
| SCHEMBL15652256 | 0.76 | CYP2A6 (0.40) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| SCHEMBL15651979 | 0.75 | HDAC1 (0.53) | CYP2A6HDAC1ALDH1A1HPGDKDM4E | |
| SCHEMBL12672783 | 0.75 | CYP2A6 (0.42) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| SCHEMBL30956943 | 0.75 | CYP2A6 (0.42) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| SCHEMBL698531 | 0.74 | DRD2 (0.53) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| Hydrochloric Acid SCHEMBL28927078 | 0.73 | CYP2A6 (0.41) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| SCHEMBL7289571 | 0.72 | PDE3B (0.36) | CYP2A6ALDH1A1MEN1GAAMAPT | |
| SCHEMBL290721 | 0.72 | PNMT (0.48) | — | |
| SCHEMBL18323926 | 0.72 | HTR5A (0.39) | CYP2A6ALDH1A1GAAMAPTRAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104262265-B | A kind of preparation method of tetrahydro quinazoline derivative | Hunan Hua Teng pharmaceutical Co. Ltd (CN) | 2016-04-13 | — | — | CN | claimed |
| CN-104262265-A | Preparation method for tetrahydro quinazoline derivative | Hunan huateng pharmaceutical co ltd | 2015-01-07 | — | — | CN | claimed |
| EP-3894396-A1 | 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS | Ideaya Biosciences, Inc. (US) | 2021-10-20 | — | — | EP | disclosed |
| WO-2020123395-A1 | 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-06-18 | — | — | WO | disclosed |
| CN-104262265-B | A kind of preparation method of tetrahydro quinazoline derivative | Hunan Hua Teng pharmaceutical Co. Ltd (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-104262265-B | A kind of preparation method of tetrahydro quinazoline derivative | Hunan Hua Teng pharmaceutical Co. Ltd (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-104262265-A | Preparation method for tetrahydro quinazoline derivative | Hunan huateng pharmaceutical co ltd | 2015-01-07 | — | — | CN | disclosed |
| CN-102459244-A | Quinazolinedione derivatives, their preparation and their various therapeutic uses | SANOFI SA | 2012-05-16 | — | — | CN | disclosed |