Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | CCNK | O75909 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | 0.81 | HDAC6 (0.41) | MEN1KMT2AHDAC1HDAC6 | |
| SCHEMBL29558495 | 0.72 | HDAC6 (0.38) | CYP3A4MEN1KMT2AHDAC1OPRD1 | |
| SCHEMBL15255066 | 0.72 | KCNA3 (0.39) | CCR5KCNA3CYP3A4MEN1KMT2A | |
| SCHEMBL28495234 | 0.71 | HDAC1 (0.65) | MEN1KMT2AHDAC1HDAC6 | |
| SCHEMBL5463791 | 0.66 | EPHX1 (0.48) | — | |
| SCHEMBL3718972 | 0.65 | CYP3A4 (0.43) | CCR5CYP3A4MEN1KMT2A | |
| SCHEMBL14640497 | 0.64 | SLC6A2 (0.45) | CCR5KCNA3CYP3A4MEN1KMT2A | |
| SCHEMBL11788207 | 0.64 | SLC6A2 (0.45) | CCR5KCNA3CYP3A4MEN1KMT2A | |
| SCHEMBL2713930 | 0.64 | OPRM1 (0.39) | CCR5CYP3A4KCNH2OPRD1 | |
| Hydrochloric Acid SCHEMBL11789965 | 0.62 | SLC6A2 (0.44) | CCR5KCNA3CYP3A4MEN1KMT2A |
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 |