Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 8/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3250622 | 0.76 | MEN1 (0.43) | L3MBTL1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL31563485 | 0.76 | MEN1 (0.43) | L3MBTL1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL13066286 | 0.72 | ADRA2A (0.37) | IDH1L3MBTL1ADRA2AADRA2BADRA2C | |
| SCHEMBL13024496 | 0.68 | ADRA2A (0.38) | IDH1ADRA2AADRA2BADRA2C | |
| SCHEMBL14605213 | 0.67 | MAP2K1 (0.41) | MAP2K1L3MBTL1KDM4EHSD17B10ALOX15 | |
| SCHEMBL24492780 | 0.64 | PLCG1 (0.43) | MAP2K1L3MBTL1KDM4EHSD17B10ALOX15 | |
| SCHEMBL12986487 | 0.64 | TDP1 (0.39) | L3MBTL1KDM4EHSD17B10ALOX15TDP1 | |
| SCHEMBL30900474 | 0.64 | IDH1 (0.37) | IDH1MAP2K1L3MBTL1KDM4EHSD17B10 | |
| SCHEMBL29222965 | 0.64 | IDH1 (0.37) | IDH1MAP2K1L3MBTL1KDM4EHSD17B10 | |
| SCHEMBL30548975 | 0.64 | CA12 (0.42) | MAP2K1L3MBTL1KDM4EHSD17B10ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009015917-A2 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |