Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 3/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3844531 | 0.79 | MAPK1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL4717129 | 0.78 | LOXL2 (0.41) | METALDH1A1SMN1; SMN2KDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL3847034 | 0.77 | ADORA2A (0.40) | METIKBKB | |
| Hydrochloric Acid SCHEMBL3852037 | 0.77 | GSK3B (0.41) | METALDH1A1IKBKBSMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL5854209 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDTGFBR1 | |
| Hydrochloric Acid SCHEMBL3846766 | 0.74 | POLQ (0.40) | ALDH1A1IKBKBSMN1; SMN2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL3849698 | 0.74 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL3853399 | 0.71 | FYN (0.47) | IKBKB | |
| Hydrochloric Acid SCHEMBL3846119 | 0.70 | KDM4E (0.46) | ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL3854354 | 0.68 | ROCK2 (0.50) | ROCK1CHEK1 |
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 |