Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11565152 | 0.83 | KMT2A (0.44) | KMT2AMEN1NPSR1POLBL3MBTL1 | |
| SCHEMBL10912480 | 0.80 | NPSR1 (0.41) | KMT2AMEN1SMN1; SMN2NPSR1POLB | |
| SCHEMBL9611270 | 0.77 | KMT2A (0.62) | KMT2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1855443 | 0.76 | ALDH1A1 (0.37) | KMT2AMEN1SMN1; SMN2NPSR1POLB | |
| SCHEMBL1851448 | 0.71 | DHFR (0.37) | KMT2AMEN1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL28924360 | 0.71 | NPSR1 (0.30) | NPSR1 | |
| SCHEMBL10955043 | 0.71 | PTGIR (0.46) | KMT2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28608175 | 0.69 | KDM4E (0.30) | CYP3A4CYP2C9CYP2C19L3MBTL1TDP1 | |
| SCHEMBL6945191 | 0.67 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL27922845 | 0.67 | — | — |
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-116133658-A | Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same | 株式会社 钟根堂 | 2023-05-16 | — | — | CN | disclosed |