Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.58 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1181751 | 0.85 | CYP17A1 (0.62) | CYP17A1RIPK1SMN1; SMN2HRH3CYP19A1 | |
| SCHEMBL27759827 | 0.79 | RIPK1 (0.47) | CYP17A1RIPK1SMN1; SMN2GAAHRH3 | |
| Hydrochloric Acid SCHEMBL5048270 | 0.72 | CYP17A1 (0.53) | CYP17A1RIPK1SMN1; SMN2HRH3CYP19A1 | |
| SCHEMBL24372431 | 0.71 | CYP17A1 (0.49) | CYP17A1RIPK1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3798613 | 0.67 | CYP2C9 (0.54) | SMN1; SMN2MAPTALDH1A1L3MBTL1LMNA | |
| SCHEMBL27285101 | 0.67 | CYP17A1 (0.42) | CYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL27285997 | 0.67 | CYP17A1 (0.42) | CYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL27285097 | 0.67 | CYP17A1 (0.42) | CYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL1196282 | 0.67 | CYP17A1 (0.50) | CYP17A1CYP19A1ALDH1A1KDM4E | |
| SCHEMBL12669973 | 0.66 | ALDH1A1 (0.54) | SMN1; SMN2GAAALDH1A1LMNARAD52 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101326184-B | Bis-heterocyclic imidazolyl compounds | SPEEDEL EXPERIMENTA AG | 2011-11-23 | — | — | CN | disclosed |
| CN-102115473-A | Bis-heterocyclic imidazolyl compounds | SPEEDEL EXPERIMENTA AG | 2011-07-06 | — | — | CN | disclosed |
| CN-101326184-A | Bis-heterocyclic imidazolyl compounds | SPEEDEL EXPERIMENTA AG (CH) | 2008-12-17 | — | — | CN | disclosed |