Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033383 | 0.84 | CYP1A2 (0.50) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL28110411 | 0.80 | CYP1A2 (0.56) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL28259425 | 0.79 | CYP1A2 (0.46) | CYP1A2RAB9ANPC1TSHRMAPK1 | |
| SCHEMBL28710938 | 0.78 | PIK3CA (0.36) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL20566156 | 0.75 | CYP1A2 (0.50) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL8776023 | 0.74 | MAPT (0.41) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL28903937 | 0.74 | CYP1A2 (0.56) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL31116679 | 0.74 | CYP1A2 (0.56) | CYP1A2RAB9ANPC1HPGDTDP1 | |
| SCHEMBL29928771 | 0.74 | CYP1A2 (0.68) | CYP1A2RAB9ANPC1L3MBTL1HPGD | |
| SCHEMBL19143038 | 0.74 | CYP1A2 (0.56) | CYP1A2RAB9ANPC1HPGDTDP1 |
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 1 patent. 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 |