Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 3/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | 0.87 | ABL1 (0.32) | ABL1CYP3A4CYP2D6SRCFYN | |
| SCHEMBL3636480 | 0.86 | LMNA (0.34) | ABL1CYP3A4CYP2D6SRCFYN | |
| SCHEMBL3636413 | 0.85 | PIK3CA (0.38) | PIK3CACYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL3632163 | 0.85 | CHRNA7 (0.35) | ABL1CYP3A4CYP2D6FLT3KMT2A | |
| SCHEMBL3633598 | 0.80 | KCNQ3 (0.38) | ABL1PIK3CACYP3A4CYP2D6SLC6A2 | |
| SCHEMBL847911 | 0.68 | HDAC3 (0.38) | LMNAKMT2AALDH1A1EGFRBTK | |
| SCHEMBL3637778 | 0.68 | GAA (0.38) | BCL6PIN1TNFJAK2LRRK2 | |
| SCHEMBL3634094 | 0.67 | MDM2 (0.34) | KMT2AALDH1A1EGFRBTKITK | |
| SCHEMBL3634212 | 0.66 | LMNA (0.42) | CYP2D6LMNAKMT2AALDH1A1CYP1A2 | |
| SCHEMBL3630824 | 0.66 | KMT2A (0.36) | ABL1CYP3A4SRCLMNAKMT2A |
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 |