Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL3636994 | 0.77 | MAPK8 (0.47) | PTGS1PTGS2MAPK8MAPK9MAPK10 | |
| SCHEMBL9260498 | 0.73 | ALOX15 (0.77) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL15622113 | 0.71 | HTR6 (0.55) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL15622313 | 0.70 | HTR6 (0.54) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL3636997 | 0.70 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL5116547 | 0.69 | PTGS2 (0.81) | PTGS1PTGS2 | |
| SCHEMBL5107304 | 0.69 | PTGS2 (0.85) | PTGS1PTGS2 | |
| SCHEMBL16344594 | 0.68 | PTGS1 (0.60) | PTGS1PTGS2ALDH1A1MAPTGAA | |
| SCHEMBL849144 | 0.68 | MAPK8 (0.50) | ALDH1A1KDM4ENPC1ALOX15TSHR | |
| SCHEMBL16943501 | 0.68 | ALDH1A1 (0.71) | ALDH1A1MAPTGAAKDM4ENPC1 |
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 |