Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13996950 | 1.00 | SIGMAR1 (0.47) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL18435200 | 0.86 | SIGMAR1 (0.45) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL13884117 | 0.83 | SIGMAR1 (0.45) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL16252285 | 0.82 | CYP3A4 (0.42) | SIGMAR1TAAR1SLC18A2SLC6A4CYP3A4 | |
| SCHEMBL12639979 | 0.81 | SIGMAR1 (0.52) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL4451006 | 0.81 | SIGMAR1 (0.52) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL12797375 | 0.81 | SIGMAR1 (0.52) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL13683313 | 0.80 | EPHX1 (0.43) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL13453312 | 0.79 | SLC6A4 (0.64) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 | |
| SCHEMBL26724506 | 0.79 | SLC6A4 (0.64) | SIGMAR1TAAR1SLC18A2SLC6A4SLC6A2 |
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 4 patents. 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 |
| EP-2861581-B1 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-02-01 | — | — | EP | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |