Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23945284 | 0.77 | HRH3 (0.36) | NPC1HRH3SIGMAR1SMN1; SMN2 | |
| SCHEMBL23775060 | 0.75 | HRH3 (0.37) | HRH3OPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL24764433 | 0.75 | NPC1 (0.37) | NPC1HRH3SIGMAR1SMN1; SMN2KDM4E | |
| SCHEMBL17285631 | 0.75 | HRH3 (0.41) | NPC1HRH3SIGMAR1SMN1; SMN2 | |
| SCHEMBL25502491 | 0.75 | HRH3 (0.36) | NPC1HRH3SMN1; SMN2 | |
| SCHEMBL18270428 | 0.75 | HRH3 (0.33) | NPC1HRH3SIGMAR1SMN1; SMN2 | |
| SCHEMBL24764415 | 0.73 | NPC1 (0.35) | NPC1HRH3SIGMAR1SMN1; SMN2KDM4E | |
| SCHEMBL27013338 | 0.73 | NPC1 (0.50) | NPC1HRH3KDM4E | |
| SCHEMBL24764429 | 0.72 | HRH3 (0.35) | NPC1HRH3SMN1; SMN2 | |
| SCHEMBL24764431 | 0.72 | NPC1 (0.34) | NPC1HRH3SIGMAR1SMN1; SMN2KDM4E |
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-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |