Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19903227 | 0.85 | TSHR (0.33) | TSHRHSD17B10MAOBMAOALMNA | |
| SCHEMBL19903241 | 0.85 | TSHR (0.35) | TSHRHSD17B10MAOBMAOALMNA | |
| SCHEMBL19903375 | 0.83 | NPSR1 (0.34) | TSHRHSD17B10LMNAALDH1A1 | |
| SCHEMBL20108345 | 0.80 | HSD17B10 (0.34) | TSHRHSD17B10MAOBMAOA | |
| SCHEMBL20108497 | 0.74 | HSD11B1 (0.37) | TSHRMAOBMAOALMNAALDH1A1 | |
| SCHEMBL20311368 | 0.72 | MAOB (0.38) | MAOBMAOACYP2A6ALDH1A1 | |
| SCHEMBL19903214 | 0.72 | HPGD (0.39) | MAOBMAOACYP2A6ALDH1A1 | |
| SCHEMBL22643093 | 0.72 | ALDH1A1 (0.47) | TSHRHSD17B10MAOBMAOALMNA | |
| SCHEMBL19903237 | 0.71 | HPGD (0.38) | HSD17B10MAOBMAOACYP2A6LMNA | |
| SCHEMBL16025274 | 0.71 | MEN1 (0.30) | — |
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 |