Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.51 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.51 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13073495 | 1.00 | KMT2A (0.58) | KMT2APOLBOPRM1MMP8CYP2D6 | |
| SCHEMBL18603451 | 0.89 | KMT2A (0.69) | KMT2A | |
| SCHEMBL23154816 | 0.88 | L3MBTL1 (0.65) | POLBMMP8CYP3A4TSHRL3MBTL1 | |
| SCHEMBL23154817 | 0.88 | L3MBTL1 (0.65) | POLBMMP8CYP3A4TSHRL3MBTL1 | |
| SCHEMBL23154665 | 0.88 | L3MBTL1 (0.65) | POLBMMP8CYP3A4TSHRL3MBTL1 | |
| SCHEMBL22175312 | 0.88 | CYP3A4 (0.68) | KMT2ACYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL18647233 | 0.87 | KMT2A (0.54) | KMT2AOPRM1MMP8 | |
| SCHEMBL27563081 | 0.86 | ACE (0.61) | CYP3A4TSHRL3MBTL1 | |
| SCHEMBL27563079 | 0.86 | ACE (0.61) | CYP3A4TSHRL3MBTL1 | |
| SCHEMBL18435286 | 0.85 | KMT2A (0.56) | KMT2APOLBMMP8CYP2D6CYP2C9 |
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 |