Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 2/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6527570 | 1.00 | IDH2 (0.43) | IDH2KCNH3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6508192 | 0.86 | KCNH3 (0.41) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6508189 | 0.86 | KCNH3 (0.41) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6528931 | 0.86 | KCNH3 (0.41) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6528847 | 0.86 | SYK (0.43) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6530945 | 0.86 | KCNH3 (0.59) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6531320 | 0.85 | ALDH1A1 (0.45) | IDH2KCNH3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6531002 | 0.84 | ALDH1A1 (0.49) | IDH2KCNH3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6529816 | 0.83 | KCNH3 (0.43) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6528850 | 0.82 | AAK1 (0.42) | CHRNA7MAPTTP53POLBMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | claimed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |