Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19643477 | 0.70 | AR (0.33) | ALDH1A1ARSMN1; SMN2DDR1KDM5A | |
| SCHEMBL24610995 | 0.69 | KDM5A (0.36) | ALDH1A1EGLN1DDR1NPSR1KDM5A | |
| SCHEMBL8148156 | 0.68 | AR (0.43) | ALDH1A1ARSMN1; SMN2 | |
| SCHEMBL24610998 | 0.68 | KHK (0.50) | ALDH1A1KHKSMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL8778840 | 0.65 | KHK (0.48) | ALDH1A1KHKSMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL19643389 | 0.64 | TRPV4 (0.37) | ALDH1A1ARSMN1; SMN2DDR1 | |
| SCHEMBL17649358 | 0.64 | ALDH1A1 (0.45) | ALDH1A1KHKARSMN1; SMN2CYP1A2 | |
| SCHEMBL17026991 | 0.64 | SLC40A1 (0.53) | SMN1; SMN2SLC40A1CYP1A2 | |
| SCHEMBL30838125 | 0.64 | SLC40A1 (0.53) | SLC40A1 | |
| SCHEMBL31441732 | 0.63 | SLC7A5 (0.38) | — |
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 |