Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 5/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.34 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17770426 | 1.00 | KDM4E (0.36) | KDM4EALDH1A1SMN1; SMN2NTRK1GSK3B | |
| SCHEMBL17769418 | 0.94 | CHEK1 (0.37) | KDM4EALDH1A1SMN1; SMN2NTRK1GSK3B | |
| SCHEMBL17776946 | 0.92 | NTRK1 (0.34) | NTRK1GSK3BCDK5DYRK1ACDK5R1 | |
| SCHEMBL17770220 | 0.90 | OPRK1 (0.39) | GSK3BCDK5DYRK1ACDK5R1OPRK1 | |
| SCHEMBL17776945 | 0.90 | OPRK1 (0.39) | GSK3BCDK5DYRK1ACDK5R1OPRK1 | |
| SCHEMBL17770379 | 0.89 | PIK3C3 (0.34) | NTRK1GSK3BCDK5DYRK1ACDK5R1 | |
| SCHEMBL22239520 | 0.89 | GSK3B (0.31) | NTRK1GSK3BCCNT1CCNA2CDK2 | |
| SCHEMBL17777017 | 0.88 | GAA (0.32) | KDM4EALDH1A1SMN1; SMN2NTRK1GSK3B | |
| SCHEMBL22239707 | 0.88 | CNR2 (0.35) | ALDH1A1SMN1; SMN2NTRK1GSK3BCDK5 | |
| SCHEMBL19713910 | 0.87 | CDK5 (0.36) | GSK3BCDK5CDK5R1HCRTR1HCRTR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3221317-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-07-22 | — | — | EP | disclosed |
| WO-2016079710-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |