Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.60 |
| ▸ | AKT1 | P31749 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | GRK2 | P25098 | 1/20 | 0.48 |
| ▸ | GRK5 | P34947 | 1/20 | 0.48 |
| ▸ | GRK1 | Q15835 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855452 | 0.90 | AKT1 (0.54) | AURKAAKT1ALDH1A1MAPK1LMNA | |
| SCHEMBL3847360 | 0.90 | ACHE (0.59) | AURKAAKT1ALDH1A1MAPK1LMNA | |
| Hydrochloric Acid SCHEMBL3851639 | 0.83 | ACHE (0.54) | AKT1ALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL3850109 | 0.82 | CYP3A4 (0.65) | AKT1ALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL3854867 | 0.82 | AURKA (0.60) | AURKAALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL30734227 | 0.80 | ACHE (0.57) | AKT1ALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL3854046 | 0.80 | AKT1 (0.56) | AKT1ALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL3854138 | 0.79 | AKT1 (0.56) | AURKAAKT1ALDH1A1MAPK1LMNA | |
| SCHEMBL3848914 | 0.79 | AKT1 (0.49) | AKT1ALDH1A1MAPK1LMNAHSD17B10 | |
| SCHEMBL3846924 | 0.78 | AKT1 (0.51) | AURKAAKT1ALDH1A1MAPK1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |