Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28542535 | 0.85 | ATR (0.45) | SOS1KDM4AATRKCNA5MTNR1A | |
| SCHEMBL28542639 | 0.81 | SCN9A (0.39) | KDM4AATRKCNA5CA12CA1 | |
| SCHEMBL31706166 | 0.81 | CACNA1H (0.45) | AAK1KDM4AKCNA5CA12CA1 | |
| SCHEMBL25574990 | 0.80 | AAK1 (0.49) | AAK1KDM4AKCNA5MTNR1AMTNR1B | |
| SCHEMBL25215120 | 0.79 | KCNA5 (0.39) | AAK1KDM4AATRKCNA5MTNR1A | |
| SCHEMBL24502884 | 0.78 | NOTUM (0.40) | SOS1AAK1KDM4AATRKCNA5 | |
| SCHEMBL29533276 | 0.78 | AAK1 (0.45) | AAK1KDM4AKCNA5CA12CA1 | |
| SCHEMBL31515366 | 0.78 | ATR (0.42) | SOS1AAK1ATRCA12CA1 | |
| SCHEMBL22664847 | 0.78 | AAK1 (0.45) | AAK1KDM4AKCNA5CA12CA1 | |
| SCHEMBL12231435 | 0.78 | ATR (0.42) | KDM4AATRKCNA5CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107200726-B | Pyrrolidine-amide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-04-06 | — | — | CN | disclosed |