Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15229246 | 1.00 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL15229070 | 0.90 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL15229035 | 0.90 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL31410509 | 0.85 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL15229299 | 0.80 | APLNR (0.35) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL15229331 | 0.80 | APLNR (0.35) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL5223462 | 0.80 | AOC3 (0.37) | SLC6A4SLC6A2SLC6A3IDO1APLNR | |
| SCHEMBL9063602 | 0.79 | AOC3 (0.43) | SLC6A4SLC6A2IDO1 | |
| SCHEMBL15229308 | 0.78 | CA2 (0.38) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL6439346 | 0.78 | CA2 (0.35) | — |
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-3041471-A1 | COMBINATION OF A MEK INHIBITOR AND AN ERK INHIBITOR FOR USE IN TREATMENT OF HYPERPROLIFERATIVE DISEASES | F. Hoffmann-La Roche AG (CH) | 2016-07-13 | — | — | EP | disclosed |
| WO-2015032840-A1 | COMBINATION OF A MEK INHIBITOR AND AN ERK INHIBITOR FOR USE IN TREATMENT OF HYPERPROLIFERATIVE DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-12 | — | — | WO | disclosed |