Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 9/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TKT | P29401 | 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 | |
|---|---|---|---|---|
| SCHEMBL1632237 | 0.80 | CYP2C9 (0.35) | KCNH2CYP2C9NAMPTCYP11B1CYP11B2 | |
| SCHEMBL16606310 | 0.79 | CYP1A2 (0.43) | CYP2C9NAMPTCYP11B1CYP11B2CYP3A4 | |
| SCHEMBL17827395 | 0.79 | KCNH2 (0.45) | KCNH2DYRK1AALDH1A1 | |
| SCHEMBL13428824 | 0.79 | KCNH2 (0.55) | KCNH2DYRK1ACYP2C9NAMPTCYP11B1 | |
| SCHEMBL31226682 | 0.79 | KCNH2 (0.45) | KCNH2DYRK1AALDH1A1 | |
| SCHEMBL27113640 | 0.79 | KCNH2 (0.45) | KCNH2DYRK1A | |
| SCHEMBL18252807 | 0.79 | KCNH2 (0.45) | KCNH2DYRK1ANAMPTADORA2B | |
| SCHEMBL10061636 | 0.78 | CYP11B1 (0.43) | CYP2C9NAMPTCYP11B1CYP11B2CYP3A4 | |
| SCHEMBL12312589 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP2D6 | |
| SCHEMBL14478360 | 0.77 | KCNH2 (0.43) | KCNH2DYRK1ACYP2C9CYP3A4ALDH1A1 |
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-2018069468-A1 | BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS | PHARMASUM THERAPEUTICS AS (NO) | 2018-04-19 | — | — | WO | disclosed |