Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 5/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.49 |
| ▸ | CPA1 | P15085 | 2/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | CTSL | P07711 | 5/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16252294 | 0.88 | MME (0.51) | MMEACECPA1ACE2CTSS | |
| SCHEMBL23156997 | 0.86 | MME (0.55) | MMEACECPA1ACE2L3MBTL1 | |
| SCHEMBL18435206 | 0.83 | CTSS (0.51) | MMEACECPA1ACE2CTSS | |
| SCHEMBL19289959 | 0.82 | MEN1 (0.52) | CYP3A4NPC1RAB9A | |
| SCHEMBL22317109 | 0.81 | CTSS (0.52) | MMEACECPA1ACE2CTSS | |
| SCHEMBL16254357 | 0.81 | CTSS (0.52) | MMEACECPA1ACE2CTSS | |
| SCHEMBL18435163 | 0.81 | CTSS (0.52) | MMEACECPA1ACE2CTSS | |
| SCHEMBL11404183 | 0.80 | CTSS (0.58) | MMEACECPA1ACE2CTSS | |
| SCHEMBL18435491 | 0.79 | NPC1 (0.54) | TSHRNPC1RAB9A | |
| SCHEMBL14113860 | 0.79 | CTSS (0.74) | CTSSCTSKCTSLCTSBL3MBTL1 |
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 |