Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7768331 | 0.71 | CYP1A2 (0.37) | IDO1PNMTCHRNB2CHRNA4 | |
| SCHEMBL9753193 | 0.71 | TRPV1 (0.36) | IDO1CHRNB2CHRNA4CNR1 | |
| SCHEMBL9299207 | 0.71 | CYP1A2 (0.37) | IDO1PNMTCHRNB2CHRNA4 | |
| SCHEMBL8132229 | 0.71 | IDO1 (0.36) | IDO1CNR1 | |
| SCHEMBL13380562 | 0.71 | IDO1 (0.44) | IDO1CNR1 | |
| SCHEMBL7253544 | 0.71 | IDO1 (0.44) | IDO1CNR1 | |
| SCHEMBL7770957 | 0.70 | AR (0.35) | IDO1AR | |
| SCHEMBL7762928 | 0.69 | — | — | |
| SCHEMBL7874514 | 0.67 | IDO1 (0.33) | IDO1 | |
| SCHEMBL7870442 | 0.65 | KCNE1 (0.36) | — |
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-1991009031-A1 | TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION | BEECHAM GROUP PLC (GB) | 1991-06-27 | — | — | WO | disclosed |