Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL19181986 | 0.79 | NPC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28658397 | 0.78 | HDAC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL2712667 | 0.77 | NPC1 (0.36) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28513177 | 0.77 | NPC1 (0.32) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL30163529 | 0.77 | NPC1 (0.32) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL29283410 | 0.74 | HDAC4 (0.31) | NPC1RAB9A | |
| SCHEMBL17275209 | 0.74 | NPC1 (0.31) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL4939750 | 0.73 | NPC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL27711885 | 0.73 | — | — | |
| SCHEMBL29050085 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112442012-A | Compound, application thereof and device containing compound | 北京鼎材科技有限公司 | 2021-03-05 | — | — | CN | disclosed |