Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HTR1E | P28566 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL66920 | 0.82 | LMNA (0.54) | CYP2D6SRCLMNAHTR1ES1PR3 | |
| SCHEMBL31066516 | 0.81 | HTR1E (0.47) | CYP2D6SRCLMNAHTR1ES1PR3 | |
| Hydrochloric Acid SCHEMBL11359974 | 0.80 | LMNA (0.53) | CYP2D6SRCLMNAHTR1ES1PR3 | |
| SCHEMBL67619 | 0.78 | HTR1E (0.60) | CYP2D6LMNAHTR1ES1PR3MEN1 | |
| SCHEMBL69127 | 0.78 | HTR1E (0.65) | CYP2D6LMNAHTR1ES1PR3MEN1 | |
| SCHEMBL28622389 | 0.78 | HTR1E (0.65) | CYP2D6LMNAHTR1ES1PR3MEN1 | |
| SCHEMBL67219 | 0.77 | HTR1E (0.63) | CYP2D6LMNAHTR1ES1PR3MEN1 | |
| SCHEMBL12531975 | 0.77 | HTR1E (0.63) | CYP2D6LMNAHTR1ES1PR3MEN1 | |
| SCHEMBL18547313 | 0.77 | SLC6A4 (0.53) | CYP2D6SRCLMNAHTR1ES1PR3 | |
| Hydrochloric Acid SCHEMBL11526873 | 0.76 | HTR1E (0.61) | CYP2D6LMNAHTR1ES1PR3MEN1 |
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-3233849-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096936-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |