Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27070674 | 0.79 | KMT2A (0.41) | KMT2ACCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL15243536 | 0.75 | NOS3 (0.45) | KMT2ACCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL29952796 | 0.72 | ERN1 (0.46) | ERN1KMT2ATRIM24TRIM33CCR1 | |
| SCHEMBL6626617 | 0.72 | ERN1 (0.46) | ERN1KMT2ATRIM24TRIM33CCR1 | |
| SCHEMBL2467427 | 0.72 | KDM4E (0.42) | KMT2ACCR1CCR5CCR8CYP1A2 | |
| SCHEMBL2686250 | 0.71 | ALDH1A1 (0.42) | ERN1KMT2ATRIM24TRIM33SRC | |
| SCHEMBL20135895 | 0.71 | CCR1 (0.39) | KMT2ACCR1CCR5CCR8CYP1A2 | |
| SCHEMBL16114807 | 0.70 | KDM4E (0.43) | ALDH1A1LMNATSHRHCRTR1NPSR1 | |
| SCHEMBL29912244 | 0.70 | KDM4E (0.43) | ALDH1A1LMNATSHRHCRTR1NPSR1 | |
| SCHEMBL2851214 | 0.69 | ALDH1A1 (0.47) | ERN1KMT2ACCR1CCR5CCR8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970207-B1 | SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-16 | — | — | EP | claimed |
| CN-110669052-B | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-110669052-A | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2020-01-10 | — | — | CN | disclosed |