Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18971275 | 1.00 | ADORA2A (0.40) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL18971706 | 1.00 | ADORA2A (0.40) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL5763778 | 0.98 | ADORA2A (0.41) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL4380400 | 0.98 | ADORA2A (0.41) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL5413280 | 0.98 | ADORA2A (0.41) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL5742266 | 0.98 | ADORA2A (0.41) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL27325818 | 0.83 | CA1 (0.35) | ADORA2AADORA2BADORA3ADORA1HSP90B1 | |
| SCHEMBL18971396 | 0.81 | ADORA3 (0.38) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL18971393 | 0.81 | ADORA3 (0.38) | ADORA2AADORA2BTSHRADORA3ADORA1 | |
| SCHEMBL17484921 | 0.80 | ADORA3 (0.41) | ADORA3MAPK1CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017098174-A1 | METHOD FOR OBTAINING SURFACTANT COMPOSITIONS MADE FROM ALKYL-L-GULURONAMIDES | ÉCOLE NATIONALE SUPÉRIEURE DE CHIMIE (FR) | 2017-06-15 | — | — | WO | disclosed |