Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.33 |
| ▸ | MTOR | P42345 | 7/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.30 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL16754426 | 0.94 | PIK3CA (0.33) | PIK3CAMTORPOLQSMPD3SCD | |
| SCHEMBL16754428 | 0.94 | PIK3CA (0.33) | PIK3CAMTORPOLQSMPD3SCD | |
| SCHEMBL17778747 | 0.86 | WNT3A (0.35) | — | |
| SCHEMBL19689783 | 0.86 | WNT3A (0.35) | — | |
| SCHEMBL19689784 | 0.86 | WNT3A (0.35) | — | |
| SCHEMBL16754425 | 0.83 | PIK3CA (0.34) | PIK3CAMTORSMPD3 | |
| SCHEMBL16754515 | 0.83 | PIK3CA (0.34) | PIK3CAMTORSMPD3 | |
| SCHEMBL16754514 | 0.83 | PIK3CA (0.34) | PIK3CAMTORSMPD3 | |
| SCHEMBL16775797 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL16754519 | 0.82 | KDM1A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016079709-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016081692-A2 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-26 | — | — | WO | disclosed |