Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 6/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TEK | Q02763 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 2/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLK | P51451 | 1/20 | 0.42 |
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 | 0.93 | AKT1 (0.50) | NTRK1KDRPDGFRBMAPTKDM4E | |
| Trifluoroacetic Acid SCHEMBL3846056 | 0.92 | GRK2 (0.47) | NTRK1KDRPDGFRBMAPTKDM4E | |
| Trifluoroacetic Acid SCHEMBL3853324 | 0.90 | AKT1 (0.48) | PDGFRBMAPTKDM4EALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL3847414 | 0.86 | AKT1 (0.46) | PDGFRBMAPTKDM4EALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL3846430 | 0.86 | AKT1 (0.48) | NTRK1BRAFALDH1A1LMNAAKT1 | |
| Trifluoroacetic Acid SCHEMBL3845990 | 0.85 | AKT1 (0.53) | BRAFKDM4EALDH1A1LMNAAKT1 | |
| Trifluoroacetic Acid SCHEMBL3847006 | 0.84 | AKT1 (0.50) | MAPTKDM4EALDH1A1LMNAAKT1 | |
| Trifluoroacetic Acid SCHEMBL3849091 | 0.84 | CYP3A4 (0.47) | KDRPDGFRBALDH1A1LMNAAKT1 | |
| Trifluoroacetic Acid SCHEMBL3855041 | 0.84 | CYP1A2 (0.58) | BRAFMAPTALDH1A1LMNAAKT1 | |
| Hydrochloric Acid SCHEMBL3846099 | 0.84 | AKT1 (0.48) | MAPTKDM4EALDH1A1LMNAAKT1 |
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 |