Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4723419 | 0.94 | MEN1 (0.31) | — | |
| SCHEMBL4765008 | 0.93 | NTRK1 (0.31) | NTRK1 | |
| SCHEMBL4724951 | 0.89 | NTRK1 (0.32) | NTRK1 | |
| SCHEMBL4721734 | 0.88 | P2RX7 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4719842 | 0.87 | PDE4A (0.38) | — | |
| SCHEMBL4724001 | 0.87 | PDE4A (0.36) | — | |
| SCHEMBL4720286 | 0.86 | BRD4 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4723635 | 0.80 | PDE4A (0.38) | — | |
| SCHEMBL4723868 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL4720712 | 0.79 | — | — |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |