Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 8/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLK | P51451 | 1/20 | 0.38 |
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 SCHEMBL3854776 | 0.92 | AKT1 (0.48) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3847446 | 0.92 | AKT1 (0.49) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL4712859 | 0.90 | AKT1 (0.46) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3851634 | 0.90 | AKT1 (0.48) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3850108 | 0.90 | AKT1 (0.51) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3847451 | 0.89 | AKT1 (0.49) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3849091 | 0.88 | CYP3A4 (0.47) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3848184 | 0.88 | AKT1 (0.48) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3849063 | 0.87 | AKT1 (0.47) | AKT1CYP3A4CLK4CYP1A2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL3851786 | 0.87 | AKT1 (0.49) | AKT1CYP3A4CLK4CYP1A2MAPK1 |
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 |