Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071714 | 0.79 | SMN1; SMN2 (0.37) | NPC1RAB9AKDM4EADORA2ALTA4H | |
| SCHEMBL29071598 | 0.79 | MAPT (0.40) | NPC1RAB9AKDM4EGAAADORA2A | |
| SCHEMBL29071601 | 0.79 | RAB9A (0.41) | NPC1RAB9ATDO2KDM4EGAA | |
| SCHEMBL29071592 | 0.77 | TDO2 (0.46) | NPC1RAB9ATDO2NOTUMADORA2A | |
| SCHEMBL29071720 | 0.75 | MAPT (0.46) | NPC1RAB9AKDM4EMAPTTP53 | |
| SCHEMBL29071593 | 0.67 | KDM4E (0.45) | NPC1RAB9AKDM4EGAAADORA1 | |
| SCHEMBL5321375 | 0.62 | MAP4K4 (0.67) | NPC1RAB9ATDO2KDM4EGAA | |
| SCHEMBL3952742 | 0.61 | CYP1A2 (0.73) | NPC1RAB9ANOTUMCYP1A2TP53 | |
| SCHEMBL28215 | 0.61 | CYP1A2 (0.73) | NPC1RAB9ANOTUMCYP1A2TP53 | |
| SCHEMBL11165087 | 0.61 | CYP1A2 (0.73) | NPC1RAB9ANOTUMCYP1A2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116535356-A | 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof | 中国药科大学 | 2023-08-04 | — | — | CN | disclosed |