Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
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 SCHEMBL5852101 | 0.93 | MLYCD (0.42) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| SCHEMBL4716295 | 0.85 | CYP1A2 (0.50) | AKT1 | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.84 | CYP3A4 (0.40) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| SCHEMBL30734137 | 0.84 | KCNH2 (0.48) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.84 | HTR1A (0.38) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| SCHEMBL13874385 | 0.83 | ENPP1 (0.49) | AKT1 | |
| Trifluoroacetic Acid SCHEMBL3846732 | 0.83 | PIK3CA (0.40) | RAF1BRAFHTR1AHTR1DHTR1B | |
| SCHEMBL3853124 | 0.81 | NR1H2 (0.42) | DRD2HTR1AHTR1DHTR1BHTR2A | |
| Hydrochloric Acid SCHEMBL3847773 | 0.80 | MAPKAPK2 (0.47) | DRD2HTR1DPIM1PIM3PIM2 | |
| Trifluoroacetic Acid SCHEMBL3846498 | 0.80 | KCNH2 (0.46) | PIK3CAACVR1CLK2CLK3DYRK1A |
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 2 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 |