Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7452991 | 1.00 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL7448738 | 0.98 | KCNA5 (0.50) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL1807175 | 0.93 | KCNA5 (0.51) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL7449241 | 0.86 | KCNA5 (0.54) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL21742012 | 0.84 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL17616810 | 0.83 | KCNA5 (0.47) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL21742265 | 0.82 | KCNA5 (0.50) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL21138628 | 0.81 | TSHR (0.51) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL20746760 | 0.81 | TSHR (0.51) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL22374013 | 0.81 | TSHR (0.51) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 |
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-0977743-A1 | PROTEASE INHIBITORS | Smithkline Beecham (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049152-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-05 | — | — | WO | disclosed |