Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20204555 | 0.77 | ADH1B (0.47) | ADH1BADH1CADH1AADH7CA1 | |
| SCHEMBL20204556 | 0.70 | ADH1B (0.36) | ADH1BADH1CADH1AADH7CA1 | |
| SCHEMBL6467025 | 0.65 | ADH1B (0.48) | ADH1BADH1CADH1AADH7GAA | |
| SCHEMBL21095759 | 0.65 | ADH1B (0.44) | ADH1BADH1CADH1AADH7CYP2D6 | |
| SCHEMBL18835308 | 0.65 | ADH1B (0.44) | ADH1BADH1CADH1AADH7GAA | |
| SCHEMBL20204574 | 0.64 | MAPT (0.52) | GAACYP2D6MEN1KMT2AALDH1A1 | |
| SCHEMBL22680702 | 0.63 | CA1 (0.40) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL627479 | 0.63 | ADH1B (0.54) | ADH1BADH1CADH1AADH7GAA | |
| SCHEMBL21095906 | 0.62 | ADH1B (0.44) | ADH1BADH1CADH1AADH7GAA | |
| SCHEMBL21095911 | 0.61 | ALDH1A1 (0.54) | ADH1BADH1CADH1AADH7CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018096510-A1 | HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS | PFIZER INC. (US) | 2018-05-31 | — | — | WO | disclosed |