Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 13/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907834 | 0.80 | SLC6A2 (0.46) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL9842334 | 0.79 | DRD2 (0.41) | SLC6A4SLC6A3SLC6A2ADRB1 | |
| SCHEMBL9842263 | 0.77 | SLC6A4 (0.40) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| Trifluoroacetic Acid SCHEMBL5632043 | 0.74 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| Trifluoroacetic Acid SCHEMBL5632440 | 0.74 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL5631151 | 0.74 | SLC6A2 (0.50) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL5631142 | 0.74 | SLC6A2 (0.50) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL5632263 | 0.74 | SLC6A2 (0.50) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL8472280 | 0.71 | SLC6A2 (0.60) | SLC6A4SLC6A3SLC6A2CYP2D6ADRB1 | |
| SCHEMBL9842029 | 0.70 | CA1 (0.40) | SLC6A4SLC6A3SLC6A2 |
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-0461264-A1 | ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |