Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 4/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL3633099 | 0.82 | CHRNA7 (0.40) | KMT2ACHRNA7NPC1RAB9AMEN1 | |
| SCHEMBL3942557 | 0.82 | EGFR (0.32) | KMT2AALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL3636515 | 0.81 | KDM4E (0.41) | ALDH1A1NPC1RAB9APKM | |
| SCHEMBL3636413 | 0.80 | PIK3CA (0.38) | KMT2AALDH1A1POLBCHRNA7NPC1 | |
| SCHEMBL846912 | 0.70 | NPC1 (0.47) | KMT2AALDH1A1POLBNPC1RAB9A | |
| SCHEMBL847717 | 0.70 | KMT2A (0.42) | KMT2AALDH1A1POLBNPC1RAB9A | |
| SCHEMBL846911 | 0.70 | MAOA (0.47) | ALDH1A1NPC1RAB9ALMNAKDM1A | |
| SCHEMBL3411737 | 0.69 | HSD17B1 (0.40) | KMT2AALDH1A1POLBCHRNA7MEN1 | |
| SCHEMBL27800296 | 0.69 | MAPT (0.45) | KMT2AALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL3550308 | 0.68 | KMT2A (0.52) | KMT2AALDH1A1POLBCHRNA7NPC1 |
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 |