Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 3/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22003803 | 0.86 | SLC18A3 (0.50) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL12315996 | 0.84 | SLC18A3 (0.50) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL16546755 | 0.80 | SLC18A3 (0.51) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL12315997 | 0.80 | SLC18A3 (0.45) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL13227698 | 0.80 | HDAC1 (0.37) | SIGMAR1SLC18A3HDAC1HDAC6AKT1 | |
| SCHEMBL13209342 | 0.80 | ACLY (0.38) | SIGMAR1SLC18A3HDAC1HDAC6AKT1 | |
| SCHEMBL14623133 | 0.80 | ACLY (0.38) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL12084715 | 0.79 | SLC18A3 (0.50) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL16546759 | 0.79 | SIGMAR1 (0.44) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL12084857 | 0.78 | SLC18A3 (0.46) | SIGMAR1SLC18A3HDAC1HDAC8HDAC6 |
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-1896466-B1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL MYERS SQUIBB CO (US) | 2011-04-13 | — | — | EP | disclosed |