Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL30365932 | 0.90 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL24204595 | 0.90 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL27253275 | 0.85 | NPC1 (0.46) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL31010848 | 0.85 | NPC1 (0.46) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL31010865 | 0.82 | NPC1 (0.52) | NPC1RAB9AIDO1TDO2ALOX5AP | |
| SCHEMBL25522191 | 0.79 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CASP3 | |
| SCHEMBL30389777 | 0.78 | NPC1 (0.40) | NPC1RAB9AIDO1TDO2ALOX5AP | |
| SCHEMBL24204592 | 0.78 | NPC1 (0.40) | NPC1RAB9AIDO1TDO2ALOX5AP | |
| SCHEMBL31010861 | 0.77 | NPC1 (0.49) | NPC1RAB9AIDO1TDO2L3MBTL1 | |
| SCHEMBL26874136 | 0.77 | NPC1 (0.44) | NPC1RAB9AIDO1TDO2L3MBTL1 |
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 |