Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM5D | Q9BY66 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL29558444 | 0.79 | HDAC6 (0.41) | HDAC6HDAC1CYP2C19ALDH1A1TSHR | |
| SCHEMBL29558498 | 0.73 | HDAC6 (0.71) | HDAC6HDAC1KDM4EALDH1A1RAB9A | |
| SCHEMBL29558406 | 0.72 | CCR5 (0.34) | HDAC6HDAC1CYP3A4OPRD1MEN1 | |
| SCHEMBL5463791 | 0.65 | EPHX1 (0.48) | CYP2C19CYP2D6LMNA | |
| SCHEMBL8140628 | 0.64 | MTNR1A (0.47) | KDM4EALDH1A1TSHRRAB9AMTNR1A | |
| SCHEMBL626680 | 0.64 | ALPI (0.35) | LMNATSHRMTNR1AMTNR1BKMT2A | |
| SCHEMBL626679 | 0.64 | ALPI (0.35) | LMNATSHRMTNR1AMTNR1BKMT2A | |
| SCHEMBL626690 | 0.64 | ALPI (0.35) | LMNATSHRMTNR1AMTNR1BKMT2A | |
| SCHEMBL11572252 | 0.63 | MEN1 (0.53) | CYP2C19KDM4EALDH1A1CYP3A4TSHR | |
| Water SCHEMBL15012669 | 0.62 | ALPI (0.34) | LMNATSHRMTNR1AMTNR1BKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111943892-B | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2022-04-05 | — | — | CN | claimed |
| CN-111943892-B | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2022-04-05 | — | — | CN | disclosed |