Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3938675 | 0.87 | HSD17B10 (0.47) | ALDH1A1KDM4EHSD17B10POLBUSP2 | |
| SCHEMBL3635425 | 0.77 | HPGD (0.42) | ALDH1A1KDM4EHSD17B10USP2MEN1 | |
| SCHEMBL9281684 | 0.75 | HTT (0.59) | ALDH1A1KDM4EHSD17B10USP2MEN1 | |
| SCHEMBL3630797 | 0.75 | EDNRB (0.41) | ALDH1A1KDM4EHSD17B10POLBUSP2 | |
| SCHEMBL3634856 | 0.70 | PTGS1 (0.46) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL847034 | 0.69 | SMN1; SMN2 (0.52) | ALDH1A1KDM4EHSD17B10USP2LMNA | |
| SCHEMBL13856579 | 0.68 | ALDH1A1 (1.00) | ALDH1A1KDM4EHSD17B10POLBUSP2 | |
| SCHEMBL848642 | 0.67 | MAPK8 (0.59) | KDM4EMEN1KMT2ATSHR | |
| SCHEMBL3634795 | 0.67 | MAPK8 (0.42) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL20272215 | 0.66 | RGS12 (0.58) | ALDH1A1KDM4EHSD17B10POLBUSP2 |
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 2 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-2008138920-A1 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-20 | — | — | WO | disclosed |