Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 15/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20727201 | 0.78 | PDE4B (0.46) | MAPK1 | |
| SCHEMBL20727222 | 0.77 | GRIN2B (0.35) | GRIN2BKCNH2CYP2D6MAPK1ESR1 | |
| SCHEMBL20727226 | 0.71 | PDE7A (0.36) | — | |
| SCHEMBL15829433 | 0.66 | GRIN2B (0.41) | GRIN2BKCNH2CNR1 | |
| SCHEMBL15829975 | 0.65 | CA12 (0.49) | GRIN2BKCNH2CNR1 | |
| SCHEMBL4449600 | 0.63 | GRIN2B (0.51) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL12990035 | 0.62 | IL1B (0.40) | GRIN2BCNR1MAPK1 | |
| SCHEMBL5412624 | 0.62 | ROCK2 (0.70) | — | |
| SCHEMBL15830044 | 0.62 | KDM4E (0.58) | GRIN2BCNR1MAPK1 | |
| SCHEMBL5141661 | 0.62 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3441388-A1 | 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-13 | — | — | EP | disclosed |