Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 6/20 | 0.51 |
| ▸ | ACE | P12821 | 2/20 | 0.51 |
| ▸ | CPA1 | P15085 | 2/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.51 |
| ▸ | CTSS | P25774 | 4/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 4/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19289818 | 0.88 | MME (0.49) | MMEACECPA1ACE2CTSS | |
| SCHEMBL15592756 | 0.85 | MME (0.58) | MMEACECPA1ACE2L3MBTL1 | |
| SCHEMBL2781126 | 0.85 | MME (0.58) | MMEACECPA1ACE2L3MBTL1 | |
| SCHEMBL123574 | 0.85 | MME (0.58) | MMEACECPA1ACE2L3MBTL1 | |
| SCHEMBL18435144 | 0.85 | KMT2A (0.56) | CYP3A4TSHRMMP8 | |
| SCHEMBL18435286 | 0.85 | KMT2A (0.56) | CYP3A4TSHRMMP8 | |
| SCHEMBL22317109 | 0.84 | CTSS (0.52) | MMEACECPA1ACE2CTSS | |
| SCHEMBL18435393 | 0.84 | NPC1 (0.53) | MMEACECPA1ACE2CTSS | |
| SCHEMBL18435193 | 0.84 | NPC1 (0.53) | MMEACECPA1ACE2CTSS | |
| SCHEMBL16254357 | 0.84 | CTSS (0.52) | MMEACECPA1ACE2CTSS |
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 |