Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.50 |
| ▸ | BTK | Q06187 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | BLK | P51451 | 1/20 | 0.45 |
| ▸ | BMX | P51813 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | GRK2 | P25098 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3853324 | 0.95 | AKT1 (0.48) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3846056 | 0.94 | GRK2 (0.47) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3846582 | 0.93 | NTRK1 (0.48) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3847414 | 0.91 | AKT1 (0.46) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3846430 | 0.89 | AKT1 (0.48) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3847006 | 0.89 | AKT1 (0.50) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3845990 | 0.88 | AKT1 (0.53) | AKT1KITSLC2A1LMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3849091 | 0.87 | CYP3A4 (0.47) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3855041 | 0.87 | CYP1A2 (0.58) | AKT1BTKMTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3845037 | 0.86 | AKT1 (0.53) | AKT1BTKMTORBLKBMX |
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 |