Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL17776976 | 0.89 | CHEK1 (0.39) | CHEK1ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL17778481 | 0.83 | MAPK8 (0.43) | CHEK1ADORA3ACACBLPAR1LPAR3 | |
| SCHEMBL19151182 | 0.83 | ADORA3 (0.50) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL19699558 | 0.82 | CHEK1 (0.41) | CHEK1ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL4413569 | 0.81 | ADORA3 (0.45) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL17778400 | 0.77 | ADORA3 (0.38) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL19706738 | 0.74 | NPC1 (0.44) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL19116335 | 0.73 | SMN1; SMN2 (0.53) | CHEK1ADORA3ADORA1ADORA2ASMN1; SMN2 | |
| SCHEMBL23368466 | 0.73 | ADORA3 (0.40) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL19706567 | 0.73 | ADORA3 (0.44) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 |
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-2016079711-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |