Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | TDO2 | P48775 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | RAC1 | P63000 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30389877 | 0.92 | NPC1 (0.59) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL24204600 | 0.92 | NPC1 (0.59) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL31010865 | 0.86 | NPC1 (0.52) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL31010848 | 0.81 | NPC1 (0.46) | NPC1RAB9ANPY5RIDO1TDO2 | |
| SCHEMBL21290390 | 0.81 | NPC1 (0.63) | NPC1RAB9ANPY5RIDO1TDO2 | |
| SCHEMBL31010868 | 0.78 | NPC1 (0.60) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL24204822 | 0.77 | NPC1 (0.43) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL27993895 | 0.76 | NPC1 (0.69) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL27253072 | 0.76 | NPC1 (0.51) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL29493149 | 0.75 | NPC1 (0.63) | NPC1RAB9ANPY5RIDO1TDO2 |
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 |