Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 17/20 | 0.41 |
| ▸ | JAK1 | P23458 | 17/20 | 0.41 |
| ▸ | TYK2 | P29597 | 17/20 | 0.41 |
| ▸ | JAK3 | P52333 | 17/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16769228 | 0.80 | ACHE (0.45) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL27032066 | 0.78 | JAK2 (0.39) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL20520119 | 0.78 | JAK2 (0.39) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL27031917 | 0.78 | JAK2 (0.39) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL27032466 | 0.74 | HPGD (0.35) | ACHE | |
| SCHEMBL27842919 | 0.74 | ACHE (0.39) | ACHE | |
| SCHEMBL27128360 | 0.71 | ACHE (0.41) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL27031867 | 0.71 | ACHE (0.41) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL671486 | 0.70 | — | — | |
| SCHEMBL12460153 | 0.69 | PDK2 (0.40) | ACHEJAK2JAK1TYK2JAK3 |
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-2702042-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012149236-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-01 | — | — | WO | disclosed |