Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 4/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 4/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19365768 | 1.00 | EGFR (0.45) | EGFRKDRFAAHPIK3CAPIK3CD | |
| SCHEMBL19364814 | 0.86 | GRM5 (0.38) | PIK3CAMTORGSK3BDYRK1AMEN1 | |
| SCHEMBL19670441 | 0.86 | GRM5 (0.38) | PIK3CAMTORGSK3BDYRK1AMEN1 | |
| SCHEMBL19365296 | 0.86 | DYRK1A (0.42) | EGFRMTORGSK3BDYRK1ASMN1; SMN2 | |
| SCHEMBL19670317 | 0.86 | DYRK1A (0.42) | EGFRMTORGSK3BDYRK1ASMN1; SMN2 | |
| SCHEMBL17618581 | 0.85 | EGFR (0.43) | EGFRKDRFAAHPIK3CAPIK3CD | |
| SCHEMBL19670208 | 0.84 | CCNA2 (0.42) | KDRGSK3BDYRK1A | |
| SCHEMBL19365765 | 0.83 | ATR (0.47) | GSK3BDYRK1ACPT2CPT1ANPC1 | |
| SCHEMBL19365766 | 0.83 | ATR (0.47) | GSK3BDYRK1ACPT2CPT1ANPC1 | |
| SCHEMBL19365410 | 0.83 | RAB9A (0.41) | GSK3BDYRK1ASMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |