Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | MEN1 | O00255 | 7/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.36 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26388657 | 0.73 | LMNA (0.42) | ALDH1A1MEN1KMT2ARPS6KB2ADORA2A | |
| SCHEMBL3848405 | 0.71 | KDM4E (0.36) | ALDH1A1MEN1KMT2ARPS6KB2MAPT | |
| SCHEMBL28916303 | 0.70 | AURKA (0.39) | MEN1KMT2AADORA2AMAPTTSHR | |
| SCHEMBL2049950 | 0.70 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ARPS6KB2MAPT | |
| SCHEMBL3852265 | 0.69 | KIF11 (0.37) | MEN1KMT2AADORA2ATSHR | |
| SCHEMBL2050825 | 0.69 | ADORA1 (0.44) | ALDH1A1MEN1KMT2ARPS6KB2ADORA2A | |
| SCHEMBL22405796 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHRKDM4ELMNANPSR1 | |
| SCHEMBL3847981 | 0.67 | ADORA2A (0.43) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL25433636 | 0.67 | AURKA (0.34) | — | |
| SCHEMBL30552802 | 0.67 | AURKA (0.32) | — |
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 |