Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL17198667 | 0.67 | HSD11B1 (0.33) | POLBHSD11B1L3MBTL1 | |
| SCHEMBL254079 | 0.66 | — | — | |
| SCHEMBL13680580 | 0.65 | RAB9A (0.39) | HSD11B1ALDH1A1 | |
| SCHEMBL2046941 | 0.64 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL19454370 | 0.63 | POLB (0.57) | POLBALDH1A1L3MBTL1 | |
| SCHEMBL17198704 | 0.63 | HSD11B1 (0.36) | HSD11B1 | |
| SCHEMBL2044406 | 0.62 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL22561518 | 0.61 | CHRM4 (0.33) | — | |
| SCHEMBL17198650 | 0.61 | MAOA (0.36) | POLBALDH1A1 | |
| SCHEMBL17198700 | 0.61 | GPR3 (0.36) | POLBALDH1A1L3MBTL1TDP2 |
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 |