Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 18/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20551535 | 0.76 | NPC1 (0.36) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14886152 | 0.76 | HCRTR1 (0.40) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL21894128 | 0.73 | HCRTR1 (0.43) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL4550945 | 0.72 | HCRTR1 (0.41) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL13647699 | 0.72 | HCRTR1 (0.33) | HCRTR1HCRTR2CYP1A2KCNN4KCNA5 | |
| SCHEMBL18195993 | 0.72 | HCRTR2 (0.36) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL14883243 | 0.72 | ALK (0.39) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL20781056 | 0.72 | KDM4E (0.39) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL2523972 | 0.72 | HCRTR2 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL27900612 | 0.72 | HCRTR2 (0.49) | HCRTR1HCRTR2CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3115362-B1 | PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2019-06-12 | — | — | EP | disclosed |