Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 6/20 | 0.33 |
| ▸ | RAB9A | P51151 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24920918 | 0.89 | ALOX5AP (0.38) | NISCHSMOMAPK14CYP1A2CYP3A4 | |
| SCHEMBL24920735 | 0.84 | NPC1 (0.36) | NPC1RAB9ASMN1; SMN2PDE10AHPGD | |
| SCHEMBL24920745 | 0.82 | NPC1 (0.35) | CYP19A1NPC1RAB9ASMN1; SMN2PDE10A | |
| SCHEMBL24920726 | 0.82 | NPC1 (0.34) | NPC1RAB9ASMN1; SMN2HPGDKDM4E | |
| SCHEMBL24920733 | 0.81 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2PDE10AHPGD | |
| SCHEMBL24920723 | 0.80 | NPC1 (0.35) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL24920736 | 0.80 | NPC1 (0.34) | NPC1RAB9ASMN1; SMN2PDE10AHPGD | |
| SCHEMBL24920749 | 0.80 | NPC1 (0.36) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL24921642 | 0.80 | NISCH (0.40) | NISCHSMOMAPK14CYP1A2CYP3A4 | |
| SCHEMBL24920722 | 0.80 | NPC1 (0.37) | CYP19A1NPC1RAB9ASMN1; SMN2HPGD |
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-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |