Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 8/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 7/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 7/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9660613 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9660125 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9660534 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9661111 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9658788 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9660743 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9661720 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9660272 | 1.00 | TAAR1 (0.40) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9660849 | 0.98 | TAAR1 (0.41) | TAAR1S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9661914 | 0.94 | TAAR1 (0.41) | TAAR1S1PR1S1PR3S1PR5S1PR4 |
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-0517262-A1 | Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-12-09 | — | — | EP | disclosed |