Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | NPR3 | P17342 | 3/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| SCHEMBL6508192 | 1.00 | KCNH3 (0.41) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6528931 | 0.93 | KCNH3 (0.41) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6528847 | 0.93 | SYK (0.43) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6527929 | 0.88 | PTGS2 (0.42) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6517007 | 0.88 | CA12 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6532662 | 0.87 | CTSK (0.42) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6530078 | 0.87 | RORC (0.45) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6530084 | 0.87 | RORC (0.45) | KCNH3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL6527923 | 0.87 | MAPK1 (0.41) | KCNH3CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL6527935 | 0.87 | MAPK1 (0.41) | KCNH3CYP2C9CYP2C19CYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |