Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845235 | 0.91 | SMN1; SMN2 (0.34) | SMN1; SMN2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3847945 | 0.90 | SMN1; SMN2 (0.34) | SMN1; SMN2SRCBRAFKDRCYP1A2 | |
| SCHEMBL3848664 | 0.89 | PTGS2 (0.32) | SMN1; SMN2SRCBRAFKDRPTGS2 | |
| SCHEMBL3847277 | 0.84 | SMN1; SMN2 (0.36) | SMN1; SMN2SRCBRAFKDRLMNA | |
| SCHEMBL3845976 | 0.83 | TGFBR1 (0.40) | MAPK14 | |
| SCHEMBL3846336 | 0.83 | SMN1; SMN2 (0.33) | SMN1; SMN2 | |
| SCHEMBL3846052 | 0.82 | KDR (0.37) | SMN1; SMN2SRCBRAFKDRCSNK1D | |
| SCHEMBL3850113 | 0.80 | SMN1; SMN2 (0.38) | SMN1; SMN2SRCBRAFKDRLMNA | |
| SCHEMBL3844953 | 0.76 | MET (0.36) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL3845238 | 0.74 | — | — |
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 |