Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 18/20 | 0.66 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20597235 | 1.00 | IDO1 (0.66) | IDO1CXCR3CYP3A4 | |
| SCHEMBL20597091 | 0.91 | IDO1 (0.66) | IDO1 | |
| SCHEMBL19456598 | 0.91 | IDO1 (0.66) | IDO1 | |
| SCHEMBL24777808 | 0.87 | IDO1 (0.72) | IDO1CXCR3CYP3A4 | |
| SCHEMBL20597269 | 0.84 | IDO1 (0.62) | IDO1 | |
| SCHEMBL30141703 | 0.84 | IDO1 (0.62) | IDO1 | |
| SCHEMBL19456484 | 0.84 | IDO1 (0.62) | IDO1 | |
| SCHEMBL20597579 | 0.81 | IDO1 (0.67) | IDO1 | |
| SCHEMBL19456434 | 0.81 | IDO1 (0.67) | IDO1 | |
| SCHEMBL30141744 | 0.81 | IDO1 (0.67) | IDO1 |
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-2017173973-A1 | NITROGEN HETEROCYCLIC TRYPTAMINE KETONE DERIVATIVE AND APPLICATION AS IDO1 AND/OR TDO INHIBITOR | 北京大学 | 2017-10-12 | — | — | WO | disclosed |