Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7266315 | 0.76 | TSHR (0.39) | TSHRGAAHTTTP53KDM4E | |
| SCHEMBL7266308 | 0.75 | TBXA2R (0.54) | TSHRGAATP53KDM4ETBXA2R | |
| SCHEMBL7268204 | 0.72 | ADORA3 (0.40) | TSHRGAAHTTTP53KDM4E | |
| SCHEMBL9869190 | 0.72 | ADORA3 (0.43) | TSHRGAATP53KDM4ETBXA2R | |
| SCHEMBL9833019 | 0.70 | CACNA1C (0.64) | TSHRGAAHTTTP53KDM4E | |
| SCHEMBL7268196 | 0.70 | ADORA3 (0.52) | TSHRGAATP53KDM4ETBXA2R | |
| SCHEMBL7275805 | 0.69 | TBXA2R (0.57) | TSHRGAATP53KDM4ETBXA2R | |
| SCHEMBL7318908 | 0.69 | ADORA3 (0.37) | TSHRGAATP53KDM4ETBXA2R | |
| SCHEMBL11814621 | 0.69 | TSHR (0.60) | TSHRGAAHTTTP53KDM4E | |
| SCHEMBL6732477 | 0.68 | TBXA2R (0.58) | TSHRGAAHTTTP53KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4988713-A | 2-selenomethyl-1,4-dihydropyridines having calcium-antagonistic properties and pharmaceutical compositions containing them | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1991-01-29 | — | — | US | disclosed |