Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | PI4KA | P42356 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.47 |
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29487820 | 0.82 | ALK (0.41) | CYP2A6ABL1HSD11B1PFKFB3PTGER3 | |
| SCHEMBL18029231 | 0.75 | HTR6 (0.60) | CYP2A6HSD11B1PFKFB3HTR6 | |
| SCHEMBL14938125 | 0.75 | MAPK9 (0.58) | PIK3CDPIK3CAPIK3CBPI4KAPIK3CG | |
| SCHEMBL7528332 | 0.74 | IDO1 (0.50) | CYP2A6 | |
| SCHEMBL7528711 | 0.72 | HSD11B1 (0.47) | PIK3CBCYP2A6ABL1HSD11B1PFKFB3 | |
| SCHEMBL7596193 | 0.71 | CYP2A6 (0.42) | PIK3CBCYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17384770 | 0.71 | LRRK2 (0.55) | PIK3CDPIK3CAPIK3CBPI4KAPIK3CG | |
| SCHEMBL21241340 | 0.71 | DYRK1A (0.46) | PIK3CBCYP2A6ABL1HSD11B1PFKFB3 | |
| SCHEMBL23631697 | 0.71 | KDM4E (0.43) | ABL1HDAC8 | |
| SCHEMBL18029140 | 0.70 | HSD11B1 (0.55) | CYP2A6HSD11B1HTR6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1193027-C | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 2005-03-16 | — | — | CN | disclosed |
| CN-1411457-A | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 2003-04-16 | — | — | CN | disclosed |
| EP-1242409-A2 | SUBSTITUTED BISINDOLYLMALEIMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-25 | — | — | EP | disclosed |
| US-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |
| WO-2001046178-A2 | SUBSTITUIERTE BISINDOLYMALEIMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-28 | — | — | WO | disclosed |