Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24204840 | 0.84 | NPC1 (0.42) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL30389900 | 0.84 | NPC1 (0.42) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL30366392 | 0.82 | NPC1 (0.45) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL31010878 | 0.81 | ALDH1A1 (0.48) | NPC1RAB9AKDM4E | |
| SCHEMBL30959729 | 0.80 | CYP1A2 (0.41) | NPC1CYP1A2CDK1CDK4CCNB1 | |
| SCHEMBL24204595 | 0.77 | NPC1 (0.50) | NPC1CASP3SENP7RAB9ACYP1A2 | |
| SCHEMBL30365932 | 0.77 | NPC1 (0.50) | NPC1CASP3SENP7RAB9ACYP1A2 | |
| SCHEMBL31010855 | 0.77 | NPC1 (0.47) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL29127756 | 0.75 | NOS3 (0.33) | — | |
| SCHEMBL30676942 | 0.75 | NOS3 (0.33) | — |
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-2024152993-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 上海泽德曼医药科技有限公司 | 2024-07-25 | — | — | WO | disclosed |