Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19674775 | 0.87 | KDM4E (0.47) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25986160 | 0.85 | KDM4E (0.42) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL33526375 | 0.84 | NPSR1 (0.59) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21604801 | 0.84 | KDM4E (0.41) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18369275 | 0.84 | CYP1A2 (0.42) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12143428 | 0.84 | KHK (0.44) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL810713 | 0.84 | KDM4E (0.53) | KDM4ESMN1; SMN2TSHRALDH1A1GAA | |
| SCHEMBL16476943 | 0.80 | KDM4E (0.39) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20620010 | 0.77 | NPSR1 (0.49) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8192069 | 0.77 | KDM4E (0.46) | KDM4ESMN1; SMN2TSHRALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011067189-A2 | CMET INHIBITORS FOR TREATING ENDOMETRIOSIS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-06-09 | — | — | WO | claimed |
| EP-2121608-A1 | DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | Bayer Schering Pharma AG (DE) | 2009-11-25 | — | — | EP | claimed |
| WO-2008071451-A1 | DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-19 | — | — | WO | claimed |
| EP-2121608-B1 | DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | BAYER IP GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |