Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR5 | P32302 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL383489 | 0.84 | ALDH1A1 (0.62) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7666396 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL12313575 | 0.81 | CXCR5 (0.52) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL28020078 | 0.81 | CXCR5 (0.49) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL28020095 | 0.79 | TSHR (0.56) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL28017104 | 0.78 | CXCR5 (0.52) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL3382629 | 0.77 | KDM4E (0.72) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL104735 | 0.77 | SCN4A (0.48) | CXCR5ALDH1A1L3MBTL1SCN4ALMNA | |
| SCHEMBL11550861 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL28020515 | 0.75 | ALDH1A1 (0.57) | CXCR5ALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104136442-B | Pyrans spirocyclic piperidine amide-type as ion channel modulators | 沃泰克斯药物股份有限公司 | 2016-12-21 | — | — | CN | disclosed |