Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19365743 | 0.90 | THRB (0.40) | THRBUSP30HDAC2ADORA2AADORA3 | |
| SCHEMBL19670241 | 0.90 | GRM5 (0.38) | USP30HDAC2ADORA2APDK1PDK2 | |
| SCHEMBL19670388 | 0.89 | CACNA1G (0.46) | THRBCACNA1GCACNA1HCACNA1I | |
| SCHEMBL19670392 | 0.88 | GRM5 (0.38) | USP30HDAC2ADORA2AADORA1BRD4 | |
| SCHEMBL19670258 | 0.88 | KCNH2 (0.37) | USP30ADORA2ABRD4PDK1PDK2 | |
| SCHEMBL19669985 | 0.87 | KARS1 (0.43) | SIRT2KARS1 | |
| SCHEMBL19365492 | 0.87 | MTOR (0.36) | MTORSIRT2KARS1 | |
| SCHEMBL19670172 | 0.86 | ADORA2A (0.37) | USP30HDAC2ADORA2AMLNRPDK1 | |
| SCHEMBL19670428 | 0.85 | ABL1 (0.40) | — | |
| SCHEMBL19670174 | 0.84 | HDAC2 (0.39) | USP30HDAC2BRD4MLNRPDK1 |
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 |