Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | BRS3 | P32247 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3850285 | 0.86 | ALDH1A1 (0.49) | ALDH1A1ALDH1A2ALDH1A3KDM4EMAPT | |
| SCHEMBL13874241 | 0.82 | SLC6A3 (0.60) | SLC6A3SLC6A4SLC6A2BRS3ALDH1A1 | |
| SCHEMBL3893167 | 0.81 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2BRS3ALDH1A1 | |
| SCHEMBL5800759 | 0.77 | KMT2A (0.52) | ALDH1A1ALDH1A2ALDH1A3KDM4EMAPT | |
| SCHEMBL3846751 | 0.76 | KMT2A (0.44) | ALDH1A1ALDH1A3KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL3855945 | 0.76 | HDAC1 (0.43) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL31318316 | 0.75 | SLC6A3 (0.78) | SLC6A3SLC6A4SLC6A2ALDH1A1ROCK2 | |
| SCHEMBL3852197 | 0.75 | TGFBR1 (0.40) | SLC6A3SLC6A4SLC6A2BRS3ALDH1A1 | |
| SCHEMBL1775832 | 0.75 | SLC6A3 (0.74) | SLC6A3SLC6A4SLC6A2ALDH1A1ROCK2 | |
| SCHEMBL3849289 | 0.74 | SLC6A3 (0.41) | SLC6A3SLC6A4SLC6A2BRS3ALDH1A1 |
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 |