Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1908379 | 0.81 | DHODH (0.56) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL5252795 | 0.78 | DHODH (0.51) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9470451 | 0.78 | DHODH (0.51) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL1375014 | 0.78 | DHODH (0.56) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL2558369 | 0.77 | NPC1 (0.41) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL25319320 | 0.75 | MAPT (0.39) | MEN1KMT2AMAPTALDH1A1GAA | |
| SCHEMBL3634212 | 0.75 | LMNA (0.42) | MEN1KMT2AMAPTALDH1A1GAA | |
| SCHEMBL14604182 | 0.75 | DHODH (0.56) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL1376342 | 0.75 | DHODH (0.56) | DHODHMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9753940 | 0.74 | BRD4 (0.48) | DHODHMEN1KMT2AMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2694480-A1 | ADAMANTYL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012136684-A1 | ADAMANTYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-11 | — | — | WO | disclosed |
| 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 |