Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27797208 | 0.90 | CTSS (0.51) | S1PR1CTSSCTSKAR | |
| SCHEMBL6900513 | 0.83 | KDM4E (0.40) | S1PR1CTSSCTSK | |
| SCHEMBL16358672 | 0.82 | S1PR1 (0.40) | S1PR1CTSSCTSK | |
| SCHEMBL16302614 | 0.81 | ALDH1A1 (0.44) | S1PR1CTSS | |
| SCHEMBL1630832 | 0.80 | S1PR4 (0.51) | S1PR1CTSSCTSKAR | |
| SCHEMBL18324631 | 0.80 | POLB (0.47) | S1PR1CTSSCTSKAR | |
| SCHEMBL16255800 | 0.80 | S1PR1 (0.46) | S1PR1CTSSCTSKAR | |
| SCHEMBL16358671 | 0.80 | S1PR1 (0.38) | S1PR1CTSSCTSK | |
| SCHEMBL13390260 | 0.79 | RXRA (0.50) | S1PR1CTSSCTSKAR | |
| SCHEMBL20372428 | 0.78 | PPARD (0.42) | S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011086125-A1 | 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2011-07-21 | — | — | WO | disclosed |