Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660047 | 0.84 | TAAR1 (0.44) | CYP3A4MAPK1SIGMAR1TRPA1TSHR | |
| SCHEMBL7660038 | 0.84 | TAAR1 (0.44) | CYP3A4MAPK1SIGMAR1TRPA1TSHR | |
| SCHEMBL26731017 | 0.84 | CYP3A4 (0.43) | CYP3A4MAPK1NPC1RAB9AMAPT | |
| SCHEMBL26724554 | 0.83 | CYP3A4 (0.42) | CYP3A4MAPK1SIGMAR1TAAR1NPC1 | |
| SCHEMBL16252283 | 0.82 | SIGMAR1 (0.47) | CYP3A4MAPK1SIGMAR1TAAR1SLC18A2 | |
| SCHEMBL13996950 | 0.82 | SIGMAR1 (0.47) | CYP3A4MAPK1SIGMAR1TAAR1SLC18A2 | |
| SCHEMBL6673196 | 0.79 | CYP3A4 (0.58) | CYP3A4MAPK1SIGMAR1TRPA1TAAR1 | |
| SCHEMBL7444929 | 0.79 | CYP3A4 (0.58) | CYP3A4MAPK1SIGMAR1TRPA1TAAR1 | |
| SCHEMBL6673198 | 0.79 | CYP3A4 (0.58) | CYP3A4MAPK1SIGMAR1TRPA1TAAR1 | |
| Hydrochloric Acid SCHEMBL10998387 | 0.77 | CYP3A4 (0.57) | CYP3A4MAPK1SIGMAR1TRPA1TAAR1 |
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 3 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 |