Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3938857 | 0.85 | ABL1 (0.32) | PTK2CYP1A2CYP3A4CYP2D6FLT3 | |
| SCHEMBL3635507 | 0.85 | ABL1 (0.34) | CYP1A2CYP3A4CYP2D6FLT3ABL1 | |
| SCHEMBL3636480 | 0.84 | LMNA (0.34) | PTK2CYP1A2CYP3A4CYP2D6FLT3 | |
| SCHEMBL3636413 | 0.83 | PIK3CA (0.38) | CHRNA7CYP1A2CYP3A4CYP2D6KDM1A | |
| SCHEMBL3633099 | 0.81 | CHRNA7 (0.40) | CHRNA7PTK2CDK1CDK2KDR | |
| SCHEMBL847737 | 0.68 | PDE4B (0.38) | AXLFLT3MERTKEGFRBTK | |
| SCHEMBL3633598 | 0.65 | KCNQ3 (0.38) | CYP1A2CYP3A4CYP2D6ABL1RAB9A | |
| SCHEMBL3634094 | 0.65 | MDM2 (0.34) | RAB9AKMT2ANPC1EGFRBTK | |
| SCHEMBL3634212 | 0.64 | LMNA (0.42) | PTK2CYP1A2CYP2D6GAARAB9A | |
| SCHEMBL3630824 | 0.64 | KMT2A (0.36) | CYP1A2CYP3A4ABL1GAARAB9A |
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-2148862-A1 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| WO-2009015917-A2 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008138920-A1 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-20 | — | — | WO | disclosed |