Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.59 |
| ▸ | RAB9A | P51151 | 8/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6367825 | 0.92 | HPGD (0.63) | NPC1RAB9AATMHPGDSMN1; SMN2 | |
| SCHEMBL22720134 | 0.88 | NPC1 (0.59) | NPC1RAB9AATMHPGDSMN1; SMN2 | |
| SCHEMBL22720104 | 0.87 | HPGD (0.60) | NPC1RAB9AATMHPGDSMN1; SMN2 | |
| SCHEMBL13161908 | 0.86 | HPGD (0.52) | HPGDALDH1A1KMT2AKDM4ECNR2 | |
| SCHEMBL25492959 | 0.82 | NPC1 (0.60) | NPC1RAB9AHPGDALDH1A1KMT2A | |
| SCHEMBL22720173 | 0.82 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL22720180 | 0.81 | NPC1 (0.63) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11132624 | 0.80 | ALDH1A1 (0.70) | NPC1RAB9AALDH1A1KMT2APOLB | |
| SCHEMBL2154833 | 0.78 | ALDH1A1 (0.69) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL29229446 | 0.78 | ALDH1A1 (0.69) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 |
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 |