Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28391849 | 0.81 | SMN1; SMN2 (0.35) | KDM4ESMN1; SMN2IMPDH2MGAMGAA | |
| SCHEMBL9775493 | 0.76 | KDM4E (0.58) | KDM4ESMN1; SMN2IMPDH2MAPK14MAPK11 | |
| SCHEMBL16346378 | 0.74 | KDM4E (0.34) | KDM4ESMN1; SMN2 | |
| SCHEMBL15038342 | 0.72 | LMNA (0.40) | KDM4ESMN1; SMN2MAPK14MAPK11NOS3 | |
| SCHEMBL27767960 | 0.72 | KDR (0.50) | KDM4ESMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL27793246 | 0.72 | NPC1 (0.49) | KDM4ESMN1; SMN2GAAMAPK14CSNK1D | |
| SCHEMBL25430116 | 0.69 | ADORA2A (0.45) | MAPK14 | |
| SCHEMBL26516192 | 0.69 | ADORA2A (0.46) | SMN1; SMN2CYP1A2 | |
| SCHEMBL11155208 | 0.67 | MAPT (0.48) | KDM4EIMPDH2MGAMGAASI | |
| SCHEMBL4092576 | 0.66 | SMN1; SMN2 (0.49) | SMN1; SMN2IMPDH2MAPK14MAPK11CSNK1D |
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 |
|---|---|---|---|---|---|---|---|
| CN-110204530-B | Preparation method of vatalanib | 新发药业有限公司 | 2020-05-08 | — | — | CN | disclosed |
| CN-110204530-A | A kind of simple and convenient process for preparing of vatarani | 新发药业有限公司 | 2019-09-06 | — | — | CN | disclosed |