Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL19605727 | 0.67 | NPC1 (0.30) | NPC1RAB9AHSD17B10 | |
| SCHEMBL14037435 | 0.66 | NPC1 (0.34) | NPC1RAB9AHSD17B10 | |
| SCHEMBL19675437 | 0.66 | NPC1 (0.34) | NPC1RAB9AHSD17B10 | |
| SCHEMBL19686162 | 0.66 | — | — | |
| SCHEMBL22969392 | 0.65 | — | — | |
| SCHEMBL8924133 | 0.62 | — | — | |
| SCHEMBL2067207 | 0.58 | — | — | |
| SCHEMBL20342317 | 0.58 | — | — | |
| SCHEMBL8926208 | 0.58 | — | — | |
| SCHEMBL5685323 | 0.57 | — | — |
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-2018078009-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |