Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18952603 | 0.77 | SCN9A (0.40) | SCN9ASCN5AS1PR4AAK1 | |
| SCHEMBL18952532 | 0.74 | NPC1 (0.58) | S1PR4NPC1RAB9A | |
| SCHEMBL13348981 | 0.72 | KDM4E (0.38) | S1PR4NPC1RAB9A | |
| SCHEMBL20609189 | 0.68 | CNR2 (0.35) | SCN9ACNR2NPC1RAB9A | |
| SCHEMBL24637769 | 0.67 | RXRA (0.40) | RAB9A | |
| SCHEMBL2135911 | 0.66 | S1PR4 (0.47) | S1PR4AAK1 | |
| SCHEMBL21182267 | 0.65 | CHRNB2 (0.40) | SCN9ANPC1RAB9A | |
| SCHEMBL15537771 | 0.64 | ALDH1A1 (0.46) | SCN9AS1PR4AAK1 | |
| SCHEMBL24645123 | 0.64 | AAK1 (0.40) | S1PR4CNR2AAK1 | |
| SCHEMBL18952487 | 0.62 | S1PR4 (0.62) | S1PR4NPC1RAB9A |
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-3386978-B1 | BRIDGED PIPERIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2021-01-27 | — | — | EP | disclosed |
| WO-2017097728-A1 | BRIDGED PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-15 | — | — | WO | disclosed |