Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.59 |
| ▸ | BACE1 | P56817 | 4/20 | 0.59 |
| ▸ | AKT1 | P31749 | 1/20 | 0.57 |
| ▸ | GRK2 | P25098 | 2/20 | 0.55 |
| ▸ | GRK1 | Q15835 | 2/20 | 0.55 |
| ▸ | GRK5 | P34947 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3850182 | 0.90 | AURKA (0.60) | ACHEBACE1AKT1GRK2GRK1 | |
| SCHEMBL3854138 | 0.88 | AKT1 (0.56) | ACHEBACE1AKT1GRK2GRK5 | |
| SCHEMBL30734139 | 0.87 | ACHE (0.56) | ACHEBACE1AKT1GRK2GRK1 | |
| Hydrochloric Acid SCHEMBL3851639 | 0.85 | ACHE (0.54) | ACHEBACE1AKT1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL3847274 | 0.85 | AKT1 (0.55) | ACHEBACE1AKT1GRK2GRK1 | |
| SCHEMBL3857469 | 0.84 | GRK2 (0.49) | ACHEBACE1AKT1GRK2GRK1 | |
| SCHEMBL3852063 | 0.84 | HTT (0.68) | AKT1LMNAMAPTKMT2AMEN1 | |
| SCHEMBL3849259 | 0.84 | LMNA (0.55) | ACHEBACE1AKT1LMNAKMT2A | |
| SCHEMBL3854046 | 0.83 | AKT1 (0.56) | AKT1GRK2GRK1GRK5LMNA | |
| Hydrochloric Acid SCHEMBL3847116 | 0.82 | AURKA (0.47) | ACHEBACE1AKT1GRK2GRK5 |
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 |