Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.59 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | ADCY5 | O95622 | 4/20 | 0.49 |
| ▸ | TK1 | P04183 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8467638 | 0.86 | ADORA2A (0.56) | ADORA2AADCY1ADORA1ADCY5HTT | |
| SCHEMBL31088346 | 0.83 | ADORA2A (0.67) | ADORA2AADORA1ADCY5CYP1A2TSHR | |
| SCHEMBL8463785 | 0.83 | NFKB1 (0.53) | ADORA2AADCY1ADORA1HTTCYP1A2 | |
| SCHEMBL8467390 | 0.81 | ADORA2A (0.88) | ADORA2AADCY1ADORA1ADCY5ALDH1A1 | |
| SCHEMBL10362340 | 0.80 | ADORA2A (0.61) | ADORA2AADCY1ADORA1ADCY5TK1 | |
| SCHEMBL19553487 | 0.80 | ADORA2A (0.91) | ADORA2AADCY1ADORA1ADCY5ADORA2B | |
| SCHEMBL31088353 | 0.80 | ADORA2A (0.65) | ADORA2AADORA1CYP1A2TSHRTMIGD3 | |
| SCHEMBL8467559 | 0.78 | ADORA2A (0.60) | ADORA2AADCY1ADORA1ADCY5TK1 | |
| SCHEMBL8467138 | 0.78 | ADORA2A (0.60) | ADORA2AADCY1ADORA1ADCY5TK1 | |
| SCHEMBL8464071 | 0.78 | ADORA2A (0.60) | ADORA2AADCY1ADORA1ADCY5TK1 |
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-5994361-A | ANTITUMOR, ANTICANCER AGENT | BIOCHEM PHARMA (CA) | 1999-11-30 | — | — | US | claimed |