Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.51 |
| ▸ | CTSK | P43235 | 4/20 | 0.51 |
| ▸ | CTSL | P07711 | 5/20 | 0.49 |
| ▸ | CTSB | P07858 | 4/20 | 0.49 |
| ▸ | MME | P08473 | 3/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.49 |
| ▸ | CPA1 | P15085 | 2/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL16254357 | 0.85 | CTSS (0.52) | CTSSCTSKCTSLCTSBMME | |
| SCHEMBL18435163 | 0.85 | CTSS (0.52) | CTSSCTSKCTSLCTSBMME | |
| SCHEMBL22317109 | 0.85 | CTSS (0.52) | CTSSCTSKCTSLCTSBMME | |
| SCHEMBL11404183 | 0.84 | CTSS (0.58) | CTSSCTSKCTSLCTSBMME | |
| SCHEMBL19289818 | 0.83 | MME (0.49) | CTSSCTSKCTSLCTSBMME | |
| SCHEMBL436655 | 0.83 | MME (0.57) | MMEL3MBTL1 | |
| SCHEMBL7890615 | 0.83 | MME (0.57) | MMEL3MBTL1 | |
| SCHEMBL438206 | 0.83 | MME (0.57) | MMEL3MBTL1 | |
| SCHEMBL438205 | 0.83 | MME (0.57) | MMEL3MBTL1 | |
| SCHEMBL16252294 | 0.83 | MME (0.51) | CTSSCTSKCTSLCTSBMME |
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-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 |