Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3082123 | 0.90 | SIGMAR1 (0.52) | MEN1KMT2ASIGMAR1SLC6A2TAAR1 | |
| SCHEMBL6546874 | 0.85 | ALDH1A1 (0.49) | MEN1KMT2ASIGMAR1SLC6A2TAAR1 | |
| SCHEMBL6547008 | 0.85 | ALDH1A1 (0.49) | MEN1KMT2ASIGMAR1SLC6A2TAAR1 | |
| SCHEMBL3215341 | 0.84 | OPRK1 (0.59) | MEN1KMT2ASIGMAR1SLC6A2TAAR1 | |
| SCHEMBL19881142 | 0.81 | SLC6A4 (0.60) | MEN1KMT2ASIGMAR1SLC6A2TAAR1 | |
| SCHEMBL4785593 | 0.80 | TSHR (0.52) | MEN1KMT2A | |
| SCHEMBL6286870 | 0.79 | SIGMAR1 (0.55) | SIGMAR1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL24930325 | 0.78 | SIGMAR1 (0.52) | SIGMAR1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL597195 | 0.78 | SIGMAR1 (0.52) | SIGMAR1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL28383696 | 0.78 | TAAR1 (0.48) | TP53TAAR1CYP2A6 |
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-0060640-A1 | 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1982-09-22 | — | — | EP | disclosed |