Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22436734 | 1.00 | NPC1 (0.31) | NPC1POLBRAB9AALDH1A1HTT | |
| SCHEMBL22436767 | 0.84 | CSNK2A1 (0.31) | ALDH1A1CSNK2A1 | |
| SCHEMBL30679087 | 0.84 | CSNK2A1 (0.31) | ALDH1A1CSNK2A1 | |
| SCHEMBL22436673 | 0.81 | — | — | |
| SCHEMBL30679076 | 0.81 | — | — | |
| SCHEMBL22436700 | 0.80 | CSNK2A1 (0.36) | NPC1POLBRAB9AALDH1A1HTT | |
| SCHEMBL30679098 | 0.80 | CSNK2A1 (0.36) | NPC1POLBRAB9AALDH1A1HTT | |
| SCHEMBL30679095 | 0.77 | CSNK2A1 (0.35) | ALDH1A1CSNK2A1 | |
| SCHEMBL22436737 | 0.77 | CSNK2A1 (0.35) | ALDH1A1CSNK2A1 | |
| SCHEMBL14043734 | 0.73 | CSNK2A1 (0.36) | NPC1POLBRAB9AHTTCSNK2A1 |
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-111757884-B | Substituted macrocyclic indole derivatives | 拜耳股份公司 | 2023-12-19 | — | — | CN | disclosed |