Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.63 |
| ▸ | RAB9A | P51151 | 7/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | F12 | P00748 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.52 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720107 | 0.88 | RAB9A (0.68) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL22720141 | 0.87 | NPC1 (0.70) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL22720169 | 0.85 | RAB9A (0.63) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL24405425 | 0.83 | NPC1 (0.69) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL12121141 | 0.82 | NPC1 (0.68) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL28861134 | 0.82 | MEN1 (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2MEN1 | |
| SCHEMBL22720105 | 0.81 | TAS1R3 (0.62) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL22720149 | 0.81 | NPC1 (0.59) | NPC1RAB9AHPGDSMN1; SMN2LMNA | |
| SCHEMBL25492959 | 0.81 | NPC1 (0.60) | NPC1RAB9AHPGDCYP1A2CYP2C19 | |
| SCHEMBL22720173 | 0.81 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2LMNAMEN1 |
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 |