Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 5/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17672660 | 0.83 | MEN1 (0.43) | PIK3CDMAP4K4KDM1AMAOAMEN1 | |
| SCHEMBL17629999 | 0.81 | EGLN2 (0.44) | PIK3CDMAP4K4MEN1KMT2AL3MBTL1 | |
| SCHEMBL7086055 | 0.79 | PIK3CD (0.52) | PIK3CDMAP4K4MEN1KMT2ACASP1 | |
| SCHEMBL12493176 | 0.79 | ALDH1A1 (0.45) | KDM1AMAOAMEN1KMT2A | |
| SCHEMBL17672566 | 0.78 | SCN9A (0.51) | PIK3CDKDM1APLAU | |
| SCHEMBL1744144 | 0.77 | PIK3CD (0.52) | PIK3CDMAP4K4KDM1APLAUAR | |
| SCHEMBL30601335 | 0.76 | ALK (0.41) | PIK3CDKDM1AMEN1KMT2AL3MBTL1 | |
| SCHEMBL26626401 | 0.76 | ALK (0.41) | PIK3CDKDM1AMEN1KMT2AL3MBTL1 | |
| SCHEMBL31493104 | 0.76 | PIK3CD (0.45) | PIK3CDMAP4K4AREGLN2 | |
| SCHEMBL9955106 | 0.76 | MMP3 (0.57) | MAP4K4KDM1AMAOAMEN1KMT2A |
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-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |