Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | 0.86 | MEN1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL22018387 | 0.85 | RAB9A (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018214 | 0.85 | NPC1 (0.30) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018388 | 0.82 | NPC1 (0.32) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22018210 | 0.82 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL22018225 | 0.81 | — | — | |
| SCHEMBL22018367 | 0.71 | MEN1 (0.40) | ALDH1A1NPC1RAB9A | |
| SCHEMBL22018366 | 0.70 | RAB9A (0.41) | ALDH1A1NPC1RAB9A | |
| SCHEMBL22019249 | 0.70 | KDM4E (0.33) | ALDH1A1NPC1RAB9A | |
| SCHEMBL30782379 | 0.63 | TDP1 (0.40) | ALDH1A1 |
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 |