Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.43 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.43 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6871570 | 0.90 | HPGD (0.46) | TP53ALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL6871193 | 0.90 | KMT2A (0.41) | TP53ALDH1A1KMT2ACYP3A4MAPT | |
| SCHEMBL6870466 | 0.89 | TP53 (0.47) | TP53ALDH1A1KMT2ATSHRGAA | |
| SCHEMBL6863086 | 0.88 | PLAU (0.44) | TP53ALDH1A1CYP2C19KLKB1KDM4E | |
| SCHEMBL6871254 | 0.83 | ADORA2A (0.56) | TP53ALDH1A1KMT2ATSHRGAA | |
| SCHEMBL6873034 | 0.83 | ADORA2A (0.39) | TP53ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL6872062 | 0.82 | TP53 (0.47) | TP53ALDH1A1KMT2AGAACYP1A2 | |
| SCHEMBL6863739 | 0.81 | SMN1; SMN2 (0.54) | TP53ALDH1A1KMT2ATSHRGAA | |
| SCHEMBL6867527 | 0.81 | ADORA2A (0.38) | ALDH1A1KMT2AMAPTKDM4ELMNA | |
| SCHEMBL6869624 | 0.81 | ADORA2A (0.41) | TP53ALDH1A1KMT2ATSHRCYP3A4 |
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 |