Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23894006 | 0.81 | TRPA1 (0.42) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL13416759 | 0.80 | SIGMAR1 (0.50) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL5072576 | 0.71 | SIGMAR1 (0.68) | SIGMAR1TAAR1SLC6A4SLC18A2MEN1 | |
| SCHEMBL5072573 | 0.71 | SIGMAR1 (0.68) | SIGMAR1TAAR1SLC6A4SLC18A2MEN1 | |
| SCHEMBL2555409 | 0.71 | SIGMAR1 (0.56) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL13189946 | 0.71 | SIGMAR1 (0.56) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL13006663 | 0.71 | SIGMAR1 (0.56) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL16252283 | 0.70 | SIGMAR1 (0.47) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL13996950 | 0.70 | SIGMAR1 (0.47) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL21243266 | 0.70 | SIGMAR1 (0.47) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 |
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-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |