Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17198681 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL254079 | 0.66 | — | — | |
| SCHEMBL13680580 | 0.65 | RAB9A (0.39) | ALDH1A1 | |
| SCHEMBL21235954 | 0.64 | DRD2 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL17198679 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL17198697 | 0.60 | KDM4E (0.34) | KDM4EALDH1A1TDP1 | |
| SCHEMBL16707489 | 0.59 | ALDH1A1 (0.37) | KDM4EALDH1A1TDP1 | |
| SCHEMBL17198908 | 0.58 | BAZ2B (0.34) | ALDH1A1 | |
| SCHEMBL17600040 | 0.58 | — | — | |
| SCHEMBL21614301 | 0.58 | SMN1; SMN2 (0.33) | KDM4EALDH1A1TDP1 |
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 |