Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA3 | P07451 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23675423 | 0.84 | NPC1 (0.63) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL26096785 | 0.84 | NPC1 (0.63) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL22720149 | 0.82 | NPC1 (0.59) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL25492959 | 0.82 | NPC1 (0.60) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL3477479 | 0.82 | RAB9A (0.58) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL23675401 | 0.82 | NPC1 (0.60) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL14614780 | 0.81 | NPC1 (0.63) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL22720180 | 0.81 | NPC1 (0.63) | RAB9ANPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL20794986 | 0.80 | MCHR1 (0.58) | ALDH1A1MCHR1 | |
| SCHEMBL11132624 | 0.80 | ALDH1A1 (0.70) | RAB9ANPC1ALDH1A1KDM4EEPHX1 |
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 |
| CN-110041273-B | 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2020-10-20 | — | — | CN | disclosed |