Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.32 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.32 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863124 | 0.88 | ADORA2A (0.49) | ADORA2AMAPTLPAR1KDM4EALDH1A1 | |
| SCHEMBL6871816 | 0.88 | ADORA2A (0.57) | ADORA2AHPGDLMNATSHR | |
| SCHEMBL6870566 | 0.84 | ADORA2A (0.45) | ADORA2AMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6867221 | 0.81 | ADORA2A (0.46) | ADORA2AMAPTTP53ROCK2ROCK1 | |
| SCHEMBL6863423 | 0.80 | ADORA2A (0.43) | ADORA2ALPAR1LPAR5 | |
| SCHEMBL6863393 | 0.80 | ADORA2A (0.50) | ADORA2ALPAR1LPAR5 | |
| SCHEMBL6871983 | 0.80 | ADORA2A (0.46) | ADORA2ALMNATSHR | |
| SCHEMBL6867466 | 0.80 | ADORA2A (0.49) | ADORA2ATSPOROCK2ROCK1HSD17B10 | |
| SCHEMBL6869841 | 0.79 | ADORA2A (0.48) | ADORA2AMAPTTSPOHSD17B10KDM4E | |
| SCHEMBL6871694 | 0.78 | ADORA2A (0.44) | ADORA2AMAPTSMN1; SMN2TP53HSD17B10 |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |