Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22018384 | 0.85 | MEN1 (0.44) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018212 | 0.85 | ALDH1A1 (0.31) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22019249 | 0.84 | KDM4E (0.33) | NPC1RAB9A | |
| SCHEMBL22018387 | 0.84 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018208 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL22018388 | 0.82 | NPC1 (0.32) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018221 | 0.81 | — | — | |
| SCHEMBL22018210 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL22018211 | 0.69 | MEN1 (0.37) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018615 | 0.64 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2 |
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-2020099793-A1 | NOVEL BENZOTHIOXANTHENE P-CONJUGATED MOLECULES FOR ENERGY STORAGE | UNIVERSITE D'ANGERS (FR) | 2020-05-22 | — | — | WO | disclosed |