Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30159236 | 1.00 | ROCK2 (0.42) | ROCK2METAP2FABP3FABP4PTPN5 | |
| SCHEMBL2727228 | 0.84 | ROCK2 (0.49) | ROCK2METAP2FABP3FABP4GABRA1 | |
| SCHEMBL29424818 | 0.82 | ROCK2 (0.48) | ROCK2METAP2FABP3FABP4GABRA1 | |
| Phosphine SCHEMBL27043067 | 0.82 | ROCK2 (0.48) | ROCK2METAP2FABP3FABP4GABRA1 | |
| SCHEMBL852213 | 0.80 | ROCK2 (0.39) | ROCK2METAP2FABP3FABP4PTPN5 | |
| SCHEMBL11314594 | 0.78 | CA1 (0.43) | PTPN5GABRA1GABRB2CA12CA1 | |
| SCHEMBL9171533 | 0.78 | CA1 (0.41) | PTPN5GABRA1GABRB2HDAC6CA12 | |
| SCHEMBL29073845 | 0.78 | ROCK2 (0.50) | ROCK2METAP2PTPN5GCGRCDC25B | |
| Carbimide SCHEMBL27867638 | 0.77 | ROCK2 (0.44) | ROCK2METAP2FABP3FABP4GABRA1 | |
| SCHEMBL25266405 | 0.77 | ROCK2 (0.36) | ROCK2METAP2FABP3FABP4 |
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-2023071998-A1 | NOVEL PYRIDO OR TRIAZINE-SUBSTITUTED PYRIDO HETEROCYCLIC COMPOUND | 杭州德睿智药科技有限公司 | 2023-05-04 | — | — | WO | disclosed |