Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 2/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | RORA | P35398 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | RORB | Q92753 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23581076 | 0.94 | ROCK2 (0.43) | ROCK2GCGRCNR2PTPN1DHFR | |
| SCHEMBL2727228 | 0.83 | ROCK2 (0.49) | ROCK2FABP3FABP4METAP2GABRA1 | |
| SCHEMBL29424818 | 0.82 | ROCK2 (0.48) | ROCK2FABP3FABP4METAP2GABRA1 | |
| Phosphine SCHEMBL27043067 | 0.82 | ROCK2 (0.48) | ROCK2FABP3FABP4METAP2GABRA1 | |
| SCHEMBL28747511 | 0.80 | ROCK2 (0.42) | ROCK2GCGRFABP3FABP4METAP2 | |
| Carbimide SCHEMBL27867638 | 0.77 | ROCK2 (0.44) | ROCK2FABP3FABP4METAP2GABRA1 | |
| Biphenyl SCHEMBL1123907 | 0.74 | ALDH1A1 (0.45) | POLBPTPN1HSD11B1TSHR | |
| SCHEMBL28206948 | 0.72 | — | — | |
| SCHEMBL29899326 | 0.72 | ROCK2 (0.43) | ROCK2FABP3FABP4METAP2GABRA1 | |
| SCHEMBL26117265 | 0.72 | ROCK2 (0.56) | ROCK2FABP3FABP4METAP2GABRA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108484577-A | A kind of pyrimidine-quinolones heterocomplex and its preparation method and application | 复旦大学 | 2018-09-04 | — | — | CN | claimed |
| CN-108484577-A | A kind of pyrimidine-quinolones heterocomplex and its preparation method and application | 复旦大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-104411707-A | Substituted phenylimidazopyrazoles and their use | Bayer Pharma AG | 2015-03-11 | — | — | CN | disclosed |