Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549262 | 0.80 | ALDH1A1 (0.41) | CYP3A4CYP2C9CYP2C19PDPK1ADORA2A | |
| SCHEMBL8551565 | 0.79 | KMT2A (0.42) | GAACYP3A4CYP2C9CYP2C19ADORA2A | |
| SCHEMBL9253635 | 0.79 | CYP2A6 (0.42) | TDO2NQO2CYP2A6CYP2B6CYP2E1 | |
| SCHEMBL8371541 | 0.77 | PLAU (0.42) | ENPP1TDO2NQO2 | |
| SCHEMBL8551877 | 0.77 | ESR1 (0.37) | CYP3A4CYP2C9CYP2C19ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL8553292 | 0.76 | PLAU (0.41) | TDO2NQO2 | |
| SCHEMBL8371540 | 0.75 | CCNE2 (0.32) | ENPP1TDO2NQO2 | |
| Hydrochloric Acid SCHEMBL8553284 | 0.74 | CCNE2 (0.32) | ENPP1 | |
| SCHEMBL8550946 | 0.73 | ADORA2A (0.41) | TDO2GAAADORA2A | |
| SCHEMBL8546655 | 0.72 | MAPK1 (0.42) | ENPP1CYP2A6CYP3A4CYP2C9CYP2C19 |
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-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |