Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL11878583 | 1.00 | NPC1 (0.44) | NPC1CA1CA2CA12CA9 | |
| SCHEMBL220993 | 1.00 | — | — | |
| SCHEMBL1665274 | 0.97 | — | — | |
| SCHEMBL11611813 | 0.91 | — | — | |
| SCHEMBL1593968 | 0.84 | — | — | |
| SCHEMBL28418153 | 0.84 | — | — | |
| SCHEMBL5379120 | 0.78 | NPC1 (0.52) | NPC1CA1CA2CA12CA9 | |
| SCHEMBL29060993 | 0.78 | — | — | |
| SCHEMBL6377426 | 0.75 | NPC1 (0.61) | NPC1CA1CA2CA12CA9 | |
| SCHEMBL10357183 | 0.75 | NPC1 (0.61) | NPC1CA1CA2CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-3993697-A | Odoriferous cycloalkyl acetals | HENKEL & CIE G.M.B.H. (DT) | 1976-11-23 | — | — | US | disclosed |