Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30724692 | 0.87 | HDAC8 (0.41) | HDAC8HDAC6 | |
| SCHEMBL30724695 | 0.83 | HDAC8 (0.50) | HDAC8GBA1HDAC6ADRA2APNMT | |
| SCHEMBL30798351 | 0.82 | HDAC8 (0.42) | HDAC8CYP2C9KCNH2CYP2D6 | |
| SCHEMBL28658090 | 0.74 | GBA1 (0.39) | HDAC8GBA1CYP2C8CYP2C9KCNH2 | |
| SCHEMBL91469 | 0.74 | CTSK (0.49) | CYP2C9 | |
| SCHEMBL91478 | 0.71 | CTSK (0.58) | — | |
| SCHEMBL30724677 | 0.71 | GBA1 (0.42) | HDAC8GBA1HDAC6ADRA2APNMT | |
| SCHEMBL30724682 | 0.70 | HDAC8 (0.54) | HDAC8GBA1HDAC6 | |
| SCHEMBL91484 | 0.70 | CTSK (0.60) | — | |
| SCHEMBL12367075 | 0.70 | IKBKB (0.61) | KCNH2 |
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-117396471-A | Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same | 株式会社次代生物科学 | 2024-01-12 | — | — | CN | disclosed |