Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24145466 | 1.00 | CTSK (0.47) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL12417783 | 0.89 | CYP1A2 (0.47) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15564508 | 0.88 | CTSK (0.49) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL2072819 | 0.88 | CTSK (0.49) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL2070869 | 0.86 | CTSK (0.49) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL21853151 | 0.86 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL2074722 | 0.86 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL21853149 | 0.86 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL5317755 | 0.86 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL5129671 | 0.86 | CTSK (0.47) | CTSKHDAC4HDAC1HDAC6CTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-3876928-A2 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | Merck Sharp & Dohme Corp. (US) | 2021-09-15 | — | — | EP | disclosed |