Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925401 | 0.76 | ALOX5 (0.53) | TNKS2CYP1A2HSD17B1HSD17B2ALOX5 | |
| SCHEMBL20999999 | 0.74 | MAOA (0.48) | CYP1A2HSD17B1HSD17B2MAOAALOX5 | |
| Benzenethiol SCHEMBL9557534 | 0.74 | MAOA (0.48) | HSD17B1HSD17B2MAOAALOX5GAA | |
| SCHEMBL12949207 | 0.72 | ALDH1A1 (0.48) | TNKS2CYP1A2HSD17B1HSD17B2MAOA | |
| SCHEMBL26978278 | 0.72 | POLB (0.44) | ALDH1A1HPGDTSHR | |
| SCHEMBL22919900 | 0.72 | CYP1A2 (0.59) | TNKS2CYP1A2CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL31514926 | 0.72 | CYP1A2 (0.59) | TNKS2CYP1A2CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL12886011 | 0.71 | TNKS2 (0.40) | TNKS2CYP1A2CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL722921 | 0.71 | ALDH1A1 (0.50) | HSD17B1HSD17B2MAOAALOX5GAA | |
| Biphenyl SCHEMBL3201728 | 0.71 | ALDH1A1 (0.64) | CYP1A2CYP2A6MAOAALOX5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892618-A1 | 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |