Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | F12 | P00748 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6872074 | 0.89 | ADORA2A (0.56) | ADORA2AF12ALDH1A1KMT2ALMNA | |
| SCHEMBL6863739 | 0.86 | SMN1; SMN2 (0.54) | TP53ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL6867628 | 0.86 | ADORA2A (0.60) | ADORA2AF12ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL7114944 | 0.86 | ADORA2A (0.54) | ADORA2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6868276 | 0.83 | TP53 (0.44) | ADORA2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7709116 | 0.83 | ADORA2A (0.48) | ADORA2AF12TP53TSHRGAA | |
| SCHEMBL6869036 | 0.83 | ADORA2A (0.56) | ADORA2AF12 | |
| SCHEMBL6867645 | 0.83 | POLB (0.49) | TP53ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL6872375 | 0.82 | ADORA2A (0.60) | ADORA2ATP53KMT2ASMN1; SMN2MAPT | |
| SCHEMBL6871254 | 0.82 | ADORA2A (0.56) | ADORA2ATP53ALDH1A1CYP1A2CYP3A4 |
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 |