Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | BLK | P51451 | 1/20 | 0.43 |
| ▸ | BMX | P51813 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
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 SCHEMBL3852001 | 0.89 | AKT1 (0.50) | AKT1KITHPGDMEN1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3846430 | 0.87 | AKT1 (0.48) | AKT1KITHPGDMEN1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3847414 | 0.86 | AKT1 (0.46) | AKT1KITHPGDMEN1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3853324 | 0.85 | AKT1 (0.48) | AKT1KITMEN1ALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3849091 | 0.85 | CYP3A4 (0.47) | AKT1KITHPGDMEN1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3855041 | 0.85 | CYP1A2 (0.58) | AKT1KITHPGDMEN1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3846056 | 0.85 | GRK2 (0.47) | AKT1KITMEN1ALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3845037 | 0.84 | AKT1 (0.53) | AKT1HPGDMEN1ALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3846582 | 0.84 | NTRK1 (0.48) | AKT1KITALDH1A1KDM4EMAPT | |
| Trifluoroacetic Acid SCHEMBL3849021 | 0.84 | AKT1 (0.52) | AKT1HPGDMEN1ALDH1A1KMT2A |
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-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 |