Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10718266 | 0.78 | CTSK (0.38) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL10715992 | 0.76 | MDM2 (0.38) | KMT2ACTSLCACNA1B | |
| SCHEMBL10715943 | 0.76 | HDAC4 (0.42) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL90706 | 0.75 | EPHX1 (0.46) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL89503 | 0.75 | EPHX1 (0.46) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL24298159 | 0.75 | EPHX1 (0.46) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL9646158 | 0.74 | CTSK (0.42) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL9646336 | 0.73 | CTSS (0.37) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL90287 | 0.73 | EPHX1 (0.44) | CTSKCTSSHDAC4HDAC1HDAC6 | |
| SCHEMBL90608 | 0.73 | EPHX1 (0.44) | CTSKCTSSHDAC4HDAC1HDAC6 |
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-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | claimed |