Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.44 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSH | P09668 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13707910 | 1.00 | CTSK (0.44) | CTSKCTSLCTSBCTSHMMP1 | |
| SCHEMBL13707911 | 1.00 | CTSK (0.44) | CTSKCTSLCTSBCTSHMMP1 | |
| SCHEMBL22133208 | 0.87 | CTSK (0.45) | CTSKCTSLCTSBCTSHCPB2 | |
| SCHEMBL16327608 | 0.87 | CTSK (0.45) | CTSKCTSLCTSBCTSHCPB2 | |
| SCHEMBL3617417 | 0.84 | CTSK (0.42) | CTSKCTSLCTSBCTSHMMP1 | |
| SCHEMBL13957700 | 0.84 | GRN (0.49) | CTSKCTSLCTSBCTSHCPB2 | |
| SCHEMBL13711061 | 0.84 | CTSK (0.42) | CTSKCTSLCTSBCTSHMMP1 | |
| SCHEMBL13710937 | 0.84 | CTSK (0.42) | CTSKCTSLCTSBCTSHMMP1 | |
| SCHEMBL16171793 | 0.82 | CTSK (0.44) | CTSKCTSLCTSBCTSHCPB2 | |
| SCHEMBL13337029 | 0.82 | CTSK (0.44) | CTSKCTSLCTSBCTSHCPB2 |
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 2 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 |