Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29749402 | 0.81 | ESR1 (0.37) | SLC6A2TAAR1ESR1ESR2 | |
| SCHEMBL10569078 | 0.77 | ESR1 (0.39) | SLC6A2TAAR1ESR1ESR2 | |
| SCHEMBL9745209 | 0.74 | RIPK1 (0.31) | RIPK1ESR1ESR2 | |
| SCHEMBL186151 | 0.73 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL1981429 | 0.73 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL14453840 | 0.73 | RIPK1 (0.33) | RIPK1SLC6A4SLC6A3ESR1ESR2 | |
| SCHEMBL9746211 | 0.70 | NR1H2 (0.35) | RIPK1SLC6A4ESR1ESR2 | |
| SCHEMBL706818 | 0.67 | MAOA (0.36) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL450654 | 0.67 | TAAR1 (0.36) | SLC6A2TAAR1ESR1ESR2 | |
| SCHEMBL702684 | 0.67 | NR1H2 (0.36) | SLC6A2TAAR1ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178986-A2 | FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S | Medivir UK Ltd (GB) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000069855-A2 | FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S | MEDIVIR UK LIMITED (GB) | 2000-11-23 | — | — | WO | disclosed |