Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL18435163 | 0.88 | CTSS (0.52) | L3MBTL1BCHEPOLBLMNACTSS | |
| SCHEMBL22175312 | 0.85 | CYP3A4 (0.68) | CYP3A4TSHRL3MBTL1BCHECTSS | |
| SCHEMBL24476234 | 0.82 | CTSS (0.51) | L3MBTL1BCHEPOLBLMNACTSS | |
| SCHEMBL27334440 | 0.82 | CTSS (0.51) | L3MBTL1BCHEPOLBLMNACTSS | |
| SCHEMBL25327975 | 0.82 | CYP3A4 (0.63) | CYP3A4TSHRL3MBTL1CTSSCTSK | |
| SCHEMBL22025427 | 0.80 | KMT2A (0.59) | POLBCTSSCTSKSIGMAR1KMT2A | |
| SCHEMBL25034734 | 0.80 | POLB (0.50) | CYP3A4TSHRL3MBTL1BCHEPOLB | |
| SCHEMBL22175193 | 0.79 | CYP3A4 (0.60) | CYP3A4TSHRL3MBTL1CTSSCTSK | |
| SCHEMBL7271174 | 0.79 | SIGMAR1 (0.56) | L3MBTL1LMNASIGMAR1 | |
| SCHEMBL839840 | 0.79 | SIGMAR1 (0.56) | L3MBTL1LMNASIGMAR1 |
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 |