Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 1/20 | 0.56 |
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477196 | 1.00 | P2RY6 (0.56) | P2RY6SPHK1TP53CYP1A2CYP3A4 | |
| SCHEMBL10611140 | 0.93 | P2RY6 (0.42) | P2RY6CYP3A4CYP2D6GRIN1GRIN2A | |
| SCHEMBL10611139 | 0.93 | P2RY6 (0.42) | P2RY6CYP3A4CYP2D6GRIN1GRIN2A | |
| SCHEMBL10347892 | 0.89 | P2RY6 (0.53) | P2RY6SPHK1TP53CYP1A2CYP3A4 | |
| SCHEMBL10347893 | 0.89 | P2RY6 (0.53) | P2RY6SPHK1TP53CYP1A2CYP3A4 | |
| SCHEMBL10419636 | 0.89 | P2RY6 (0.39) | P2RY6CYP3A4CYP2D6 | |
| SCHEMBL10348019 | 0.89 | P2RY6 (0.39) | P2RY6CYP3A4CYP2D6GRIN1GRIN2A | |
| SCHEMBL10347925 | 0.89 | P2RY6 (0.39) | P2RY6CYP3A4CYP2D6GRIN1GRIN2A | |
| SCHEMBL10456147 | 0.89 | P2RY6 (0.39) | P2RY6CYP3A4CYP2D6 | |
| SCHEMBL9347053 | 0.87 | P2RY6 (0.50) | P2RY6SPHK1SPHK2 |
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-4849130-A | ISOTHIOCYANATES | WOJSKOWA AKADEMIA TECHNICZNA (PL) | 1989-07-18 | — | — | US | disclosed |