Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 2/20 | 0.50 |
| ▸ | ACE | P12821 | 2/20 | 0.50 |
| ▸ | CPA1 | P15085 | 2/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.48 |
| ▸ | ITGAV | P06756 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820286 | 0.89 | GPR132 (0.52) | CYP3A4ITGB1ITGA4ITGB3L3MBTL1 | |
| SCHEMBL5498526 | 0.89 | GPR132 (0.52) | CYP3A4ITGB1ITGA4ITGB3L3MBTL1 | |
| SCHEMBL2358936 | 0.89 | MME (0.51) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL9936982 | 0.89 | MME (0.61) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL15201783 | 0.89 | MME (0.61) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL4966319 | 0.84 | ITGB3 (0.52) | ACEACE2ITGB1ITGA4ITGB3 | |
| SCHEMBL7758997 | 0.83 | ITGB3 (0.58) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL2185240 | 0.83 | ITGB3 (0.58) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL844471 | 0.83 | ITGB3 (0.58) | MMEACECPA1ACE2ITGB1 | |
| SCHEMBL2312378 | 0.81 | CTSS (0.58) | CYP3A4MMEACEACE2ITGA4 |
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-2350031-A2 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | Ensemble Therapeutics Corporation (US) | 2011-08-03 | — | — | EP | disclosed |