Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.61 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.55 |
| ▸ | AHR | P35869 | 2/20 | 0.55 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.55 |
| ▸ | VDR | P11473 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.55 |
| ▸ | DPP4 | P27487 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | DHPS | P49366 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29915339 | 0.86 | DYRK1A (0.61) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7705899 | 0.84 | KMT2A (0.57) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL28315176 | 0.81 | CYP1A2 (0.67) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL28029282 | 0.81 | CLK4 (0.65) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL29712524 | 0.81 | CYP1A2 (0.67) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL23383679 | 0.81 | CLK4 (0.65) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10367722 | 0.81 | DHPS (0.62) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL30423164 | 0.80 | CLK4 (0.62) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL25334573 | 0.80 | CLK4 (0.62) | CLK4DYRK1ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2178398 | 0.79 | DYRK1A (0.61) | CLK4DYRK1ACYP1A2ADORA2AADORA3 |
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-110325516-A | HETEROARYL COMPOUNDS AND THEIR USE | 米尼奥尔克斯治疗有限公司 | 2019-10-11 | — | — | CN | disclosed |