Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL6068673 | 0.71 | SIGMAR1 (0.35) | SMPD3RAB9ASIGMAR1 | |
| SCHEMBL6068485 | 0.70 | SRC (0.32) | SMPD3 | |
| SCHEMBL6068490 | 0.69 | SMPD3 (0.33) | SMPD3 | |
| SCHEMBL6068853 | 0.69 | ELOVL1 (0.39) | SMPD3SIGMAR1 | |
| SCHEMBL14838485 | 0.69 | SMPD3 (0.40) | SMPD3 | |
| SCHEMBL14800787 | 0.68 | PIM1 (0.50) | — | |
| SCHEMBL6069260 | 0.68 | KMO (0.42) | NPC1RAB9A | |
| SCHEMBL6068683 | 0.66 | SLC29A1 (0.32) | SMPD3SIGMAR1 | |
| SCHEMBL6068792 | 0.66 | SMPD3 (0.33) | SMPD3 | |
| SCHEMBL5424918 | 0.65 | CPB1 (0.33) | — |
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-7091350-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |