Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 14/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
| ▸ | PPARD | Q03181 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL19503866 | 0.91 | ADORA3 (0.75) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL19807418 | 0.82 | ADORA3 (1.00) | ADORA3ADORA2AADORA1ADORA2BHTR2B | |
| SCHEMBL21710872 | 0.81 | ADORA3 (0.61) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL21257354 | 0.81 | ADORA3 (0.71) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL3060344 | 0.81 | ADORA3 (0.73) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL3060342 | 0.81 | ADORA3 (0.73) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL19503865 | 0.80 | ADORA3 (0.76) | ADORA3ADORA2AADORA1MAPK1CYP1A2 | |
| SCHEMBL4345670 | 0.77 | ADORA3 (0.72) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL16178340 | 0.77 | ADORA3 (0.73) | ADORA3ADORA2AADORA1CYP3A4MAPK1 | |
| SCHEMBL13429434 | 0.76 | ADORA3 (0.75) | ADORA3ADORA2AADORA1CYP3A4MAPK1 |
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-9789131-B1 | Compounds and methods for treating neurological and cardiovascular conditions | ASTROCYTE PHARMACEUTICALS, INC. (US) | 2017-10-17 | — | — | US | disclosed |