Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12531412 | 0.69 | ALDH1A1 (0.43) | MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL21441893 | 0.68 | LRRK2 (0.38) | — | |
| SCHEMBL17198681 | 0.68 | SMN1; SMN2 (0.30) | SMN1; SMN2 | |
| SCHEMBL17198678 | 0.67 | ALDH1A1 (0.34) | SMN1; SMN2 | |
| SCHEMBL21280519 | 0.67 | ALDH1A1 (0.35) | MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL21280806 | 0.64 | POLB (0.42) | KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL15506957 | 0.64 | — | — | |
| SCHEMBL822679 | 0.63 | — | — | |
| SCHEMBL17198653 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL18194088 | 0.61 | SMN1; SMN2 (0.41) | SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015158605-A1 | HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |