Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26919 | 0.91 | HDAC1 (0.62) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| Hydrogen Sulfide SCHEMBL28114002 | 0.90 | HDAC1 (0.61) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL5809247 | 0.89 | CALM1 (0.62) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL30101936 | 0.89 | CALM1 (0.62) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| Acetone SCHEMBL28206012 | 0.87 | HDAC1 (0.63) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL28867370 | 0.87 | CALM1 (0.60) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL11568887 | 0.87 | HDAC1 (0.50) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL79785 | 0.85 | CALM1 (0.64) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| Piperazine SCHEMBL28067428 | 0.84 | HDAC1 (0.56) | HDAC1HDAC3HDAC6HDAC2CALM1 | |
| SCHEMBL3108886 | 0.82 | HDAC1 (0.51) | HDAC1HDAC3HDAC6HDAC2CALM1 |
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-108383825-B | Preparation method of difluoro piperonyl | 西安近代化学研究所 | 2021-01-29 | — | — | CN | disclosed |