Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | FPR2 | P25090 | 6/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23092423 | 0.86 | MEN1 (0.49) | GPR142CYP2D6MEN1KMT2ANPC1 | |
| SCHEMBL23092425 | 0.86 | MEN1 (0.49) | GPR142CYP2D6MEN1KMT2ANPC1 | |
| SCHEMBL18435163 | 0.84 | CTSS (0.52) | HDAC8SIGMAR1 | |
| SCHEMBL16254380 | 0.84 | CYP2D6 (0.54) | GPR142CYP2D6MAPTMEN1KMT2A | |
| SCHEMBL22025427 | 0.83 | KMT2A (0.59) | MAPTKMT2AHDAC8SIGMAR1 | |
| SCHEMBL839840 | 0.82 | SIGMAR1 (0.56) | CYP1A2FPR2SIGMAR1 | |
| SCHEMBL1958454 | 0.82 | SIGMAR1 (0.56) | CYP1A2FPR2SIGMAR1 | |
| SCHEMBL7271174 | 0.82 | SIGMAR1 (0.56) | CYP1A2FPR2SIGMAR1 | |
| SCHEMBL16252298 | 0.81 | MEN1 (0.55) | GPR142CYP2D6MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL393423 | 0.80 | SIGMAR1 (0.55) | CYP1A2FPR2SIGMAR1 |
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 |