Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4868917 | 0.87 | ESR1 (0.43) | CYP2D6ADRA1ATAAR1HSD17B10ESR1 | |
| SCHEMBL12330476 | 0.86 | ESR1 (0.42) | CYP2D6ADRA1ATAAR1HSD17B10ESR1 | |
| SCHEMBL12226957 | 0.85 | CYP2D6 (0.53) | CYP2D6ADRA1ATAAR1POLBHTT | |
| SCHEMBL6123753 | 0.84 | KDM4E (0.47) | CYP2D6ADRA1ATAAR1HSD17B10IDO1 | |
| SCHEMBL13039484 | 0.82 | ADRA1A (0.46) | ADRA1ATAAR1HSD17B10IDO1AOC3 | |
| SCHEMBL9159855 | 0.81 | NQO1 (0.45) | HSD17B10POLBESR2 | |
| SCHEMBL28863771 | 0.81 | MTNR1A (0.56) | CYP2D6ADRA1ATAAR1HSD17B10POLB | |
| SCHEMBL1145887 | 0.81 | ADRA1A (0.68) | CYP2D6ADRA1ATAAR1HSD17B10IDO1 | |
| SCHEMBL13255038 | 0.81 | TAAR1 (0.68) | ADRA1ATAAR1IDO1 | |
| SCHEMBL17344189 | 0.81 | ADRA1A (0.44) | ADRA1ATAAR1HSD17B10IDO1AOC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0513577-B1 | Method for the preparation of 1-alkoxyisochromans | BASF AG (DE) | 1995-01-18 | — | — | EP | disclosed |
| EP-0513577-A1 | Method for the preparation of 1-alkoxyisochromans | BASF Aktiengesellschaft (DE) | 1992-11-19 | — | — | EP | disclosed |