Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131064 | 0.82 | ABCG2 (0.53) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL30629328 | 0.79 | ABCG2 (0.49) | LMNAMAPTKMT2ARXFP1 | |
| SCHEMBL20743783 | 0.78 | ABCG2 (0.36) | CLK4 | |
| SCHEMBL4022715 | 0.75 | CYP2A6 (0.57) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP11B2 | |
| SCHEMBL30297896 | 0.75 | CYP11B2 (0.54) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP11B2 | |
| SCHEMBL29699104 | 0.75 | CYP2A6 (0.57) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP11B2 | |
| SCHEMBL9514248 | 0.74 | CLK4 (0.46) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL18404929 | 0.74 | CYP11B2 (0.62) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL15972704 | 0.74 | CYP2A6 (0.62) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL4631413 | 0.74 | CYP2A6 (0.62) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107667106-A | 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor | 阿尔米雷尔有限公司 | 2018-02-06 | — | — | CN | disclosed |