Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK3 | P49761 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21927182 | 0.98 | ABL1 (0.37) | ATRABL1CLK1CLK2CLK3 | |
| SCHEMBL21928203 | 0.95 | ATR (0.36) | ATRABL1CLK1CLK2CLK3 | |
| SCHEMBL21928194 | 0.94 | ATR (0.35) | ATRABL1CLK1CLK2CLK3 | |
| SCHEMBL21927315 | 0.91 | KDM4E (0.34) | CLK1CLK2CLK3CDK5DYRK1A | |
| SCHEMBL21927959 | 0.88 | ATR (0.37) | ATRABL1CLK4CYP11B2ALDH1A1 | |
| SCHEMBL21927582 | 0.88 | ATR (0.39) | ATRABL1CYP11B2KDM4ESMN1; SMN2 | |
| SCHEMBL21928195 | 0.88 | UCHL1 (0.36) | CLK1CLK2CLK3CDK5DYRK1A | |
| SCHEMBL21927982 | 0.86 | CYP11B2 (0.40) | ATRABL1CYP11B2KDM4ESMN1; SMN2 | |
| SCHEMBL21927555 | 0.84 | AR (0.38) | ATRABL1CYP11B2CYP11B1GABRA1 | |
| SCHEMBL17483336 | 0.84 | ALDH1A1 (0.36) | KDM4ESMN1; SMN2ALDH1A1CYP19A1GABRA1 |
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-3644385-A1 | CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Electronics Co., Ltd. (KR) | 2020-04-29 | — | — | EP | disclosed |