Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 3/20 | 0.44 |
| ▸ | SRC | P12931 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3850904 | 0.83 | MAPT (0.49) | NPC1RAB9ASMN1; SMN2POLBMAPT | |
| SCHEMBL3847872 | 0.78 | MAPT (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL14145116 | 0.77 | ATM (0.63) | MKNK1MKNK2ATMTTK | |
| SCHEMBL3848111 | 0.76 | PIK3CA (0.44) | GAA | |
| SCHEMBL3850100 | 0.74 | PIK3CA (0.53) | ALDH1A1KDM4EMKNK1MKNK2ATM | |
| SCHEMBL3847512 | 0.72 | MKNK1 (0.51) | ALDH1A1MKNK1MKNK2ATMHPGD | |
| SCHEMBL3846712 | 0.71 | MKNK1 (0.61) | MKNK1MKNK2ATM | |
| Hydrochloric Acid SCHEMBL3845001 | 0.69 | MAP3K5 (0.43) | MAPTABL1ATMTP53LMNA | |
| SCHEMBL13874025 | 0.69 | PIK3CA (0.44) | MKNK1MKNK2ATM | |
| SCHEMBL3854262 | 0.69 | FYN (0.52) | — |
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 |