Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL24332993 | 0.84 | TAAR1 (0.50) | TAAR1SLC18A2SIGMAR1NPC1RAB9A | |
| SCHEMBL16254380 | 0.80 | CYP2D6 (0.54) | FPR2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL24863142 | 0.80 | FPR2 (0.42) | FPR2CYP2D6MAPT | |
| SCHEMBL22294660 | 0.79 | TAAR1 (0.52) | TAAR1SLC18A2SIGMAR1NPC1RAB9A | |
| SCHEMBL14951686 | 0.76 | SIGMAR1 (0.48) | TAAR1SLC18A2SIGMAR1NPC1RAB9A | |
| SCHEMBL22334498 | 0.76 | TAAR1 (0.48) | TAAR1SLC18A2SIGMAR1FPR2CYP2D6 | |
| SCHEMBL25802651 | 0.76 | TAAR1 (0.48) | TAAR1SLC18A2SIGMAR1FPR2CYP2D6 | |
| SCHEMBL24264788 | 0.76 | TAAR1 (0.48) | TAAR1SLC18A2SIGMAR1NPC1RAB9A | |
| SCHEMBL17550603 | 0.75 | FCER2 (0.49) | — | |
| SCHEMBL4428864 | 0.74 | MMP1 (0.58) | — |
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-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 |