Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15831861 | 0.94 | CNR2 (0.52) | CNR2CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL14334588 | 0.81 | GAA (0.47) | CNR2ALDH1A1HSD17B10HPGDOPRK1 | |
| SCHEMBL2414465 | 0.74 | MAPT (0.53) | CNR2CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL13669869 | 0.74 | PDE4B (0.46) | OPRK1PDE4B | |
| SCHEMBL30323169 | 0.73 | GPR6 (0.51) | MAPTCYP2C9KDM4EMAPK1 | |
| SCHEMBL22712074 | 0.73 | GPR6 (0.51) | MAPTCYP2C9KDM4EMAPK1 | |
| Hydrochloric Acid SCHEMBL6429475 | 0.73 | MAPT (0.51) | CNR2CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL3948488 | 0.73 | CYP1A2 (0.44) | CYP1A2MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL15831847 | 0.73 | CYP1A2 (0.41) | CNR2CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL2266765 | 0.73 | CASP3 (0.44) | CYP1A2MAPTCYP2C9CYP2C19NUDT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | disclosed |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | disclosed |