Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | CCR8 | P51685 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 7/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12386957 | 0.80 | ALDH1A1 (0.62) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL12386956 | 0.80 | ALDH1A1 (0.62) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL16574044 | 0.79 | CCNB2 (0.50) | CYP3A4TGFBR1GSK3BCCNB2CDK1 | |
| SCHEMBL17051514 | 0.78 | CCR1 (0.75) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL24478529 | 0.78 | DYRK1B (0.47) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL29665276 | 0.78 | DYRK1B (0.47) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL13483666 | 0.76 | CCR1 (0.71) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL2477927 | 0.76 | CCR1 (0.71) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL30470933 | 0.76 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL16542435 | 0.76 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6CYP3A4 |
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-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |