Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13825152 | 0.81 | S1PR4 (0.32) | TKTCCR1RAB9ACCR5EGFR | |
| SCHEMBL4532966 | 0.80 | TKT (0.33) | TKT | |
| SCHEMBL9181886 | 0.79 | CTRC (0.38) | CCR1RAB9ACCR5EGFRKMT2A | |
| SCHEMBL25319426 | 0.77 | — | — | |
| SCHEMBL18152938 | 0.77 | TKT (0.32) | TKTRAB9AKMT2A | |
| SCHEMBL25371458 | 0.77 | TKT (0.44) | TKT | |
| SCHEMBL3433107 | 0.75 | KMT2A (0.47) | CCR1RAB9ACCR5EGFRKMT2A | |
| SCHEMBL24094560 | 0.74 | CCR1 (0.36) | CCR1RAB9ACCR5EGFRKMT2A | |
| SCHEMBL31139119 | 0.74 | ALDH1A1 (0.45) | TKTCCR1RAB9ACCR5EGFR | |
| SCHEMBL6320237 | 0.74 | ALDH1A1 (0.45) | TKTCCR1RAB9ACCR5EGFR |
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 |