Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL325189 | 1.00 | TSHR (0.51) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL10761851 | 0.98 | TSHR (0.54) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL3425015 | 0.98 | TSHR (0.54) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL9709315 | 0.98 | TSHR (0.54) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL8971288 | 0.95 | TSHR (0.49) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL9149500 | 0.95 | TSHR (0.49) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL10764198 | 0.88 | TSHR (0.43) | TSHRCYP2D6CYP2C19HPGDALDH1A1 | |
| SCHEMBL25389663 | 0.88 | TSHR (0.43) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL25386820 | 0.86 | TSHR (0.45) | TSHREP300CYP2D6CYP2C19FAAH | |
| SCHEMBL25390506 | 0.86 | TSHR (0.45) | TSHREP300CYP2D6CYP2C19FAAH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0879237-A1 | ISOOXACEPHEM DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-11-25 | — | — | EP | disclosed |
| US-5811419-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-22 | — | — | US | disclosed |
| WO-1997026260-A1 | ISOOXACEPHEM DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-07-24 | — | — | WO | disclosed |