Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1890797 | 0.86 | RAB9A (0.63) | NPC1RAB9ANPSR1ALDH1A1KDM4E | |
| SCHEMBL21319206 | 0.84 | RAB9A (0.60) | NPC1RAB9ANPSR1TRPV1ALDH1A1 | |
| SCHEMBL24382006 | 0.84 | NPC1 (0.61) | NPC1RAB9ANPSR1ALDH1A1CYP1A2 | |
| SCHEMBL29563219 | 0.84 | NPC1 (0.61) | NPC1RAB9ANPSR1ALDH1A1CYP1A2 | |
| SCHEMBL22279199 | 0.83 | NPC1 (0.62) | NPC1RAB9ANPSR1TRPV1ALDH1A1 | |
| SCHEMBL5338241 | 0.82 | RAB9A (0.58) | NPC1RAB9ANPSR1ALDH1A1KDM4E | |
| SCHEMBL10356846 | 0.82 | RAB9A (0.81) | NPC1RAB9ANPSR1TRPV1ALDH1A1 | |
| SCHEMBL1322757 | 0.82 | TRPV1 (0.60) | NPC1RAB9ANPSR1TRPV1ALDH1A1 | |
| SCHEMBL21319259 | 0.81 | NPSR1 (0.57) | NPC1RAB9ANPSR1TRPV1ALDH1A1 | |
| SCHEMBL28860755 | 0.80 | NPC1 (0.56) | NPC1RAB9ANPSR1TRPV1ALDH1A1 |
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-2023226323-A1 | QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 天津济坤医药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |