Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | CTSH | P09668 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13502923 | 1.00 | CTSK (0.50) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL29068166 | 0.94 | CTSK (0.47) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL30453240 | 0.94 | CTSK (0.47) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL30452308 | 0.94 | CTSK (0.47) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL13502995 | 0.88 | CTSK (0.40) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL13503038 | 0.86 | CTSK (0.38) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL13503034 | 0.86 | CTSK (0.38) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL25658173 | 0.84 | CA1 (0.42) | CTSKCTSSKMT2AGAACTSL | |
| SCHEMBL1424703 | 0.81 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL55961 | 0.81 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 |
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-102958912-A | Benzohydrol derivatives, a preparation process and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-03-06 | — | — | CN | disclosed |