Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754518 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL28368168 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL7752502 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL28534228 | 0.80 | CYP2D6 (0.41) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL1730824 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL1730826 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL619640 | 0.76 | CYP2D6 (0.50) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL619641 | 0.76 | CYP2D6 (0.50) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL11911004 | 0.76 | CYP2D6 (0.50) | CYP2D6CYP1A2GAACA1CA2 | |
| SCHEMBL620751 | 0.76 | CYP2D6 (0.50) | CYP2D6CYP1A2GAACA1CA2 |
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-1070046-A1 | PROPANOLAMINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051564-A1 | PROPANOLAMINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-14 | — | — | WO | disclosed |