Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CASR | P41180 | 3/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10365218 | 0.83 | ADRB2 (0.62) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL10732729 | 0.82 | CYP2D6 (0.67) | CYP2D6CASRCA12CA1CA2 | |
| Maleic Acid SCHEMBL10750716 | 0.81 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BCA12 | |
| Fumaric Acid SCHEMBL10750733 | 0.81 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BCA12 | |
| Fumaric Acid SCHEMBL10750739 | 0.81 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL10786534 | 0.81 | CYP2D6 (0.58) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL10364314 | 0.81 | CYP2D6 (0.58) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL11868891 | 0.80 | CA12 (0.64) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL10363360 | 0.80 | CYP2D6 (0.56) | CYP2D6CASRITGB3ITGA2BCA12 | |
| SCHEMBL10750728 | 0.79 | CYP2D6 (0.55) | CYP2D6CASRITGB3ITGA2BCA12 |
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-0221788-B1 | OCULOSELECTIVE BETA-BLOCKERS AND OPHTHALMIC FORMULATIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1990-05-23 | — | — | EP | claimed |