Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RUNX1 | Q01196 | 2/20 | 0.44 |
| ▸ | CBFB | Q13951 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 2/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3423341 | 0.75 | CCNC (0.50) | CYP19A1GRM4CCNCCDK8SIRT3 | |
| SCHEMBL22335464 | 0.70 | MAPT (0.43) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL21202128 | 0.69 | GRM4 (0.51) | CYP19A1GRM4CCNCCDK8SIRT3 | |
| SCHEMBL12258294 | 0.67 | GRM4 (0.50) | MAPTCYP19A1GRM4CCNCCDK8 | |
| SCHEMBL30395768 | 0.67 | GRM4 (0.50) | MAPTCYP19A1GRM4CCNCCDK8 | |
| SCHEMBL19059572 | 0.67 | CYP17A1 (0.46) | GRM4CCNCCDK8SIRT3TDP1 | |
| SCHEMBL10632820 | 0.67 | CYP2A6 (0.56) | ALDH1A1MAPTHPGDHTTCYP19A1 | |
| SCHEMBL25094159 | 0.67 | CYP1A2 (0.44) | ALDH1A1HPGDCYP19A1GRM4CCNC | |
| SCHEMBL19721401 | 0.66 | GRM4 (0.49) | HPGDCYP19A1GRM4CCNCCDK8 | |
| SCHEMBL21803709 | 0.65 | GCGR (0.52) | ALDH1A1HPGDCYP19A1GRM4CCNC |
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 |