Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SORD | Q00796 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845802 | 0.90 | CTSS (0.37) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3848852 | 0.86 | ALDH1A1 (0.43) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3849677 | 0.85 | MEN1 (0.41) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL3846078 | 0.85 | PDGFRB (0.39) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3846957 | 0.83 | NCF1 (0.48) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3850734 | 0.83 | CDK8 (0.39) | KDM4E | |
| SCHEMBL3848411 | 0.83 | PIK3CA (0.37) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3850517 | 0.82 | CYP46A1 (0.42) | ALDH1A1PIK3CA | |
| SCHEMBL3846609 | 0.81 | MTOR (0.37) | KDM4EMEN1KMT2A | |
| SCHEMBL3846433 | 0.81 | AKR1C3 (0.42) | ALDH1A1KDM4EGAA |
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 |