Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27965724 | 0.87 | ESR2 (0.44) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL27313443 | 0.82 | HDAC3 (0.50) | CYP19A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL73063 | 0.81 | HDAC3 (0.61) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| Bromomethane SCHEMBL209562 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| Hydrogen Sulfide SCHEMBL28066375 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL28727492 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| Hydrogen Sulfide SCHEMBL27894390 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| Hydrochloric Acid SCHEMBL3674757 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL28079333 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL28079189 | 0.79 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6HDAC4 |
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-109280030-B | Benzazaylalkyl aryl piperazine derivative and application thereof in preparing medicines | 江苏恩华药业股份有限公司 | 2022-04-22 | — | — | CN | disclosed |