Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 4/20 | 0.44 |
| ▸ | RORA | P35398 | 2/20 | 0.44 |
| ▸ | RORB | Q92753 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.36 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.36 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PER2 | O15055 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9609401 | 0.83 | NPC1 (0.48) | NPC1RORCRORARORBDHFR | |
| SCHEMBL12216223 | 0.81 | DHFR (0.61) | NPC1RORCRORARORBDHFR | |
| SCHEMBL7140681 | 0.72 | NPC1 (0.53) | NPC1RORCRORARORBDHFR | |
| SCHEMBL12216232 | 0.71 | NPC1 (0.45) | NPC1RORCRORARORBDHFR | |
| SCHEMBL19179039 | 0.68 | CYP1A2 (0.50) | NPC1RORCDHFRCNR2CNR1 | |
| SCHEMBL4779304 | 0.67 | PTGER4 (0.54) | NPC1RORCRORARORBCNR2 | |
| SCHEMBL12469831 | 0.66 | NPC1 (0.52) | NPC1RORCRORARORBCNR2 | |
| SCHEMBL21027107 | 0.65 | GLA (0.56) | NPC1CNR2CNR1KDM4EGLA | |
| SCHEMBL9609394 | 0.65 | ALDH1A1 (0.47) | NPC1KDM4EALDH1A1NPSR1 | |
| SCHEMBL11376152 | 0.65 | ALDH1A1 (0.72) | KDM4EGLAALDH1A1NPSR1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2502915-A1 | AROMATIC SULFONIUM SALT COMPOUND | Adeka Corporation (JP) | 2012-09-26 | — | — | EP | disclosed |