Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 2/20 | 0.59 |
| ▸ | HEXB | P07686 | 2/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | DPP4 | P27487 | 2/20 | 0.54 |
| ▸ | DHFR | P00374 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309881 | 0.84 | ADORA2A (0.51) | HEXAHEXBADORA2ADPP4DHFR | |
| SCHEMBL24309782 | 0.80 | ADORA2A (0.47) | HEXAHEXBADORA2ADPP4DHFR | |
| SCHEMBL28151078 | 0.80 | DHFR (0.57) | HEXAHEXBADORA2ADPP4DHFR | |
| SCHEMBL12368255 | 0.74 | HEXA (1.00) | HEXAHEXBDHFRCYP2D6REN | |
| SCHEMBL2324859 | 0.73 | CSNK1A1 (0.56) | HEXAHEXBADORA2ADPP4DHFR | |
| SCHEMBL27310325 | 0.70 | ADORA2A (1.00) | ADORA2ADHFR | |
| SCHEMBL24309389 | 0.70 | ADORA2A (0.57) | HEXAHEXBADORA2ADPP4DHFR | |
| SCHEMBL10456495 | 0.70 | MTOR (0.62) | HEXAHEXBADORA2ADHFRCYP2D6 | |
| SCHEMBL3369028 | 0.70 | DPP4 (1.00) | DPP4 | |
| SCHEMBL13653845 | 0.70 | HEXA (0.41) | HEXAHEXBDHFRCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2362775-B1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2015-08-05 | — | — | EP | disclosed |