Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | MDM4 | O15151 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL2572622 | 0.89 | ESR1 (0.32) | HDAC2ACHE | |
| SCHEMBL28027917 | 0.80 | CYP2C19 (0.36) | HDAC6HDAC3HDAC1HDAC2TSHR | |
| SCHEMBL25351936 | 0.78 | GABRA1 (0.31) | — | |
| SCHEMBL9585930 | 0.77 | L3MBTL1 (0.41) | TSHR | |
| SCHEMBL4090896 | 0.74 | GABRA1 (0.36) | RIPK1HDAC2ACHE | |
| SCHEMBL12501890 | 0.72 | KCNN4 (0.32) | KCNN4RIPK1HDAC6HDAC3HDAC1 | |
| SCHEMBL6555332 | 0.68 | — | — | |
| SCHEMBL2589886 | 0.68 | PTGDR2 (0.31) | — | |
| SCHEMBL18244101 | 0.67 | KCNN4 (0.52) | KCNN4RIPK1KIF11HDAC6HDAC3 | |
| SCHEMBL7929172 | 0.66 | KCNN4 (0.50) | KCNN4KIF11HDAC6HDAC3HDAC1 |
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-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |