Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 9/20 | 0.36 |
| ▸ | CCR6 | P51684 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846485 | 0.84 | RAB9A (0.45) | PTGS2MAPTKDM4ENPC1ALDH1A1 | |
| SCHEMBL3852882 | 0.84 | KIF11 (0.43) | KIF11MAPTKDM4ENPC1ALDH1A1 | |
| SCHEMBL519563 | 0.83 | KDM4E (0.36) | PTGS2MAPTKDM4EGAANPC1 | |
| SCHEMBL3846787 | 0.82 | POLB (0.39) | PTGS2KCNH2MAPTKDM4EALDH1A1 | |
| SCHEMBL3850398 | 0.81 | CCR6 (0.39) | SCN5ACCR6KCNH2F2RL3KIF11 | |
| SCHEMBL3849213 | 0.80 | CYP3A4 (0.36) | MAPTKDM4EGAANPC1ALDH1A1 | |
| SCHEMBL3846098 | 0.80 | GAA (0.39) | PTGS2KDM4EGAANPC1RAB9A | |
| SCHEMBL3848485 | 0.80 | MEN1 (0.42) | PTGS2MAPTKDM4ENPC1ALDH1A1 | |
| SCHEMBL3847031 | 0.76 | TRPA1 (0.36) | MAPTNPC1RAB9AMAPK1CYP1A2 | |
| SCHEMBL3845601 | 0.76 | ALDH1A1 (0.39) | MAPTKDM4EGAANPC1ALDH1A1 |
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 |