Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720176 | 0.90 | ALOX15 (0.46) | TSHRPLA2G1BHSD17B10ATG4BPIK3CA | |
| SCHEMBL22736786 | 0.89 | ALOX15 (0.48) | TSHRPLA2G1BHSD17B10ATG4BPIK3CA | |
| SCHEMBL22720084 | 0.88 | GAA (0.43) | HRH3KCNH2TSHRPLA2G1BHSD17B10 | |
| SCHEMBL22720110 | 0.86 | TSHR (0.40) | CRHR1TSHRPLA2G1BHSD17B10ATG4B | |
| SCHEMBL22720123 | 0.85 | GAA (0.42) | HRH3KCNH2TSHRPLA2G1BHSD17B10 | |
| SCHEMBL22720130 | 0.84 | ALOX15 (0.44) | HRH3KCNH2TSHRPLA2G1BHSD17B10 | |
| SCHEMBL22720124 | 0.84 | GAA (0.59) | TSHRALOX15GAAALDH1A1KDM4E | |
| SCHEMBL22720187 | 0.84 | GAA (0.46) | TSHRHSD17B10PIK3CAALOX15GAA | |
| SCHEMBL22720121 | 0.83 | GAA (0.61) | TSHRALOX15GAAALDH1A1KDM4E | |
| SCHEMBL22720182 | 0.83 | GAA (0.61) | TSHRALOX15GAAALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |