Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 12/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812093 | 0.92 | ABCB1 (0.51) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9812011 | 0.92 | ABCB1 (0.51) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9811938 | 0.90 | ABCB1 (0.48) | ABCB1ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL9811916 | 0.87 | ABCB1 (0.54) | ABCB1ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL9811963 | 0.84 | ABCB1 (0.49) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9812069 | 0.83 | ABCB1 (0.48) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9811950 | 0.82 | ABCB1 (0.50) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9812066 | 0.82 | ABCB1 (0.53) | ABCB1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9812047 | 0.82 | ABCB1 (0.53) | ABCB1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9811904 | 0.81 | ABCB1 (0.47) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT |
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-0170121-B1 | 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY | BEECHAM GROUP PLC (GB) | 1991-06-19 | — | — | EP | claimed |