Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | GPR3 | P46089 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29650180 | 0.77 | TNKS2 (1.00) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL377796 | 0.77 | TNKS2 (1.00) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL31169726 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL450729 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL31688848 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1193735 | 0.75 | KDM4E (1.00) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6827495 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL2084671 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL555407 | 0.75 | CYP1A2 (0.62) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL7938807 | 0.75 | CYP1A2 (0.60) | CYP1A2TNKS2CYP2C19KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |
| EP-2751083-B1 | QUINOLONE COMPOUND | OTSUKA PHARMA CO LTD (JP) | 2017-12-27 | — | — | EP | disclosed |