Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 10/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 10/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 7/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 7/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438585 | 0.84 | S1PR3 (0.42) | KCNQ3KCNQ2KCNE1KCNQ1S1PR3 | |
| SCHEMBL4440986 | 0.83 | BRD4 (0.46) | S1PR3S1PR2S1PR1AKR1C3AKR1C2 | |
| SCHEMBL4428091 | 0.82 | P2RX7 (0.38) | HDAC3HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL4434008 | 0.79 | AKR1C3 (0.39) | HDAC3HDAC1HDAC2HDAC6AKR1C3 | |
| SCHEMBL4440506 | 0.78 | AKR1C3 (0.38) | AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL4431036 | 0.76 | KCNQ3 (0.51) | KCNQ3KCNQ2KCNE1KCNQ1AKR1C3 | |
| SCHEMBL4432365 | 0.76 | AKR1C3 (0.43) | AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL4432457 | 0.76 | NPC1 (0.39) | KCNQ3KCNQ2S1PR3S1PR1HDAC3 | |
| SCHEMBL4431484 | 0.76 | APLNR (0.38) | S1PR3S1PR2S1PR1HDAC3HDAC1 | |
| SCHEMBL4433750 | 0.75 | HDAC4 (0.35) | HDAC3HDAC1HDAC2HDAC6AKR1C3 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |