Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30254265 | 1.00 | CYP11B2 (0.44) | CYP11B2CYP2A6KDM4EHDAC1HDAC6 | |
| SCHEMBL4988967 | 0.82 | KDM4E (0.56) | KDM4ENTRK1 | |
| SCHEMBL4886275 | 0.75 | POLB (0.43) | KDM4EHTTNTRK1IDO1TDO2 | |
| SCHEMBL4883251 | 0.73 | HPGD (0.44) | KDM4ENTRK1IDO1TRPV1NPC1 | |
| SCHEMBL25417972 | 0.73 | CYP2A6 (0.46) | CYP11B2CYP2A6CYP3A4CYP2E1HTT | |
| SCHEMBL2691172 | 0.73 | CYP2A6 (0.49) | CYP11B2CYP2A6CYP3A4CYP2E1HTT | |
| SCHEMBL16652179 | 0.73 | POLB (0.66) | CYP11B2CYP2A6CYP3A4CYP2E1HTT | |
| SCHEMBL15709954 | 0.72 | CYP11B2 (0.44) | CYP11B2CYP2A6CYP3A4CYP2E1HTT | |
| SCHEMBL16927609 | 0.72 | CYP11B2 (0.41) | CYP11B2CYP2A6KDM4EHDAC1HDAC6 | |
| SCHEMBL4854437 | 0.71 | KDM4E (0.47) | KDM4ECYP3A4HTTL3MBTL1 |
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-105324371-A | Process for preparing pyridylpyrazole compounds and derivatives thereof from pyridylhydrazine | BASF SE | 2016-02-10 | — | — | CN | disclosed |