Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867448 | 0.87 | HTT (0.56) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6867645 | 0.86 | POLB (0.49) | HPGDGAATP53ALDH1A1KDM4E | |
| SCHEMBL6869437 | 0.86 | KMT2A (0.47) | ALDH1A1LMNAMAPT | |
| SCHEMBL7114944 | 0.84 | ADORA2A (0.54) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6872062 | 0.83 | TP53 (0.47) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6871570 | 0.82 | HPGD (0.46) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6869675 | 0.82 | ALDH1A1 (0.54) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6870631 | 0.82 | LMNA (0.48) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6873996 | 0.82 | ADORA2A (0.55) | HPGDGAAHDAC1TP53ALDH1A1 | |
| SCHEMBL6872927 | 0.81 | TP53 (0.46) | HPGDGAAHDAC1TP53ALDH1A1 |
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 |