Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CCR5 | P51681 | 8/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598203 | 0.87 | CCR5 (0.49) | CYP3A4MEN1KMT2ACCR5OPRM1 | |
| SCHEMBL28919139 | 0.87 | CYP3A4 (0.59) | CYP3A4CCR5 | |
| SCHEMBL18263728 | 0.82 | MEN1 (0.72) | CYP3A4MEN1KMT2A | |
| SCHEMBL31023754 | 0.81 | ALDH1A1 (0.43) | CYP3A4MEN1KMT2ANPC1RAB9A | |
| SCHEMBL5969523 | 0.80 | MEN1 (0.49) | MEN1KMT2ACCR5OPRM1KCNH2 | |
| SCHEMBL28601830 | 0.77 | NAMPT (0.45) | CYP3A4MEN1KMT2A | |
| SCHEMBL4390067 | 0.76 | CCR5 (0.51) | CYP3A4CCR5KCNH2 | |
| SCHEMBL5969558 | 0.76 | HRH3 (0.48) | MEN1KMT2ACCR5OPRM1KCNH2 | |
| SCHEMBL2896994 | 0.75 | L3MBTL3 (0.46) | CCR5OPRM1KCNH2 | |
| SCHEMBL18263694 | 0.74 | HDAC6 (0.48) | — |
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-108026057-B | Heterocycloalkyl-derived compounds as selective histone deacetylase inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2021-08-06 | — | — | CN | disclosed |