Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1334411 | 0.91 | ADORA1 (0.42) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL5653185 | 0.89 | ADORA1 (0.43) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1334722 | 0.81 | ADORA1 (0.49) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1334414 | 0.80 | ADORA1 (0.44) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1333023 | 0.79 | ADORA1 (0.50) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1334330 | 0.78 | ADORA1 (0.44) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL5044751 | 0.77 | ADORA1 (0.48) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1333466 | 0.77 | ADORA1 (0.47) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL4167581 | 0.74 | ADORA1 (0.44) | ADORA1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1334308 | 0.74 | ADORA1 (0.57) | ADORA1ALDH1A1SMN1; SMN2TSHRADORA2B |
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-7247639-B2 | A1 adenosine receptor antagonists | ENDACEA, INC. (US) | 2007-07-24 | — | — | US | claimed |