Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | BTK | Q06187 | 4/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | FYN | P06241 | 7/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.50 |
| ▸ | PRKDC | P78527 | 3/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20533043 | 0.90 | CYP1A2 (0.61) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL23997157 | 0.87 | CYP1A2 (0.83) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL24096881 | 0.85 | CYP1A2 (0.68) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29781045 | 0.83 | BTK (0.57) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29781043 | 0.82 | FYN (0.61) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29780889 | 0.80 | SRC (0.64) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29781148 | 0.80 | SRC (0.59) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29052195 | 0.80 | SRC (0.59) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL29781002 | 0.79 | FYN (0.66) | CYP1A2MAPK1KDM4ETP53CYP3A4 | |
| SCHEMBL1320126 | 0.78 | SRC (0.55) | CYP1A2MAPK1KDM4ETP53CYP3A4 |
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-2022166610-A1 | PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-08-11 | — | — | WO | disclosed |