Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | TRPV4 | Q9HBA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16390953 | 0.75 | KHK (0.51) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL7264580 | 0.73 | ALDH1A1 (0.41) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL31347292 | 0.73 | KHK (0.42) | KHKALDH1A1SMN1; SMN2GPR35NPSR1 | |
| SCHEMBL29448447 | 0.71 | KHK (0.69) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL29448448 | 0.71 | KHK (0.69) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL165776 | 0.71 | KHK (0.69) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL6050497 | 0.70 | KHK (0.62) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL24610987 | 0.70 | KEAP1 (0.56) | ALDH1A1SMN1; SMN2GPR35KDM4EGAA | |
| SCHEMBL22119985 | 0.70 | KHK (0.39) | KHKALDH1A1GPR35CYP11B2CYP11B1 | |
| SCHEMBL31633214 | 0.70 | KHK (0.67) | KHKALDH1A1SMN1; SMN2NPSR1CYP1A2 |
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-3596069-B1 | KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO | SCRIPPS RESEARCH INST (US) | 2022-07-13 | — | — | EP | disclosed |