Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18525559 | 0.89 | CYP11B1 (0.51) | ALDH1A1TBXAS1CYP11B1CYP11B2L3MBTL1 | |
| SCHEMBL18569707 | 0.85 | CYP1A2 (0.63) | ALDH1A1CYP3A4CYP2A6CHRNB2CHRNA4 | |
| SCHEMBL13562421 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2D6KDM4E | |
| SCHEMBL20684755 | 0.80 | KEAP1 (0.41) | CYP3A4CYP2A6CYP11B1CYP11B2HRH4 | |
| SCHEMBL19034706 | 0.79 | CYP1A2 (0.46) | CYP3A4CHRNB2CHRNA4TBXAS1CYP11B1 | |
| SCHEMBL5780182 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CHRNB2CHRNA4TBXAS1CYP11B1 | |
| SCHEMBL20156878 | 0.78 | CYP2A6 (0.50) | ALDH1A1CYP2A6CHRNB2CHRNA4TBXAS1 | |
| SCHEMBL25140240 | 0.78 | L3MBTL1 (0.52) | ALDH1A1CYP3A4CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL18622091 | 0.77 | KEAP1 (0.50) | ALDH1A1CYP2A6CYP1A2KDM4ETDP1 | |
| SCHEMBL14573460 | 0.77 | CCR1 (0.52) | ALDH1A1CYP3A4CYP2A6KDM4ETDP1 |
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 |