Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2575115 | 0.74 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHRTAAR1 | |
| SCHEMBL22802017 | 0.74 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHRTAAR1 | |
| SCHEMBL18748484 | 0.70 | — | — | |
| SCHEMBL2786319 | 0.68 | CYP2A6 (0.50) | CYP2A6ALDH1A1TSHRTAAR1 | |
| SCHEMBL17402954 | 0.66 | TSHR (0.33) | TSHRHSD17B10 | |
| SCHEMBL18748487 | 0.65 | EPHX1 (0.31) | TAAR1 | |
| SCHEMBL17402950 | 0.65 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL7257524 | 0.64 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHR | |
| SCHEMBL20755440 | 0.64 | CYP2A6 (0.44) | CYP2A6ALDH1A1TAAR1 | |
| SCHEMBL18933061 | 0.64 | CYP2A6 (0.38) | CYP2A6ALDH1A1TAAR1 |
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-2976341-B1 | ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-02-28 | — | — | EP | disclosed |