Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 9/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.35 |
| ▸ | ACHE | P22303 | 9/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28915301 | 0.92 | HDAC3 (0.36) | HTR2AHTR1ADRD2BCHEACHE | |
| SCHEMBL28582707 | 0.91 | HDAC6 (0.44) | SMN1; SMN2HTR2AHTR1AHTR2CHRH1 | |
| SCHEMBL28588602 | 0.91 | IKBKB (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28583301 | 0.89 | HDAC3 (0.46) | SMN1; SMN2HTR2AHTR1AHTR2CHRH1 | |
| SCHEMBL28579641 | 0.86 | IKBKB (0.41) | SMN1; SMN2HTR2AHTR1AHTR2CHRH1 | |
| SCHEMBL28582772 | 0.85 | HDAC3 (0.37) | HTR2AHTR1ADRD2HDAC3HDAC4 | |
| SCHEMBL28573698 | 0.84 | HTR2A (0.39) | SMN1; SMN2HTR2AHTR1AHTR2CHRH1 | |
| SCHEMBL28580756 | 0.84 | HDAC3 (0.35) | CYP2D6HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28576372 | 0.83 | HDAC3 (0.40) | HTR2AHTR1AHTR2CHRH1CYP2D6 | |
| SCHEMBL28568420 | 0.82 | HDAC3 (0.36) | HTR2AHTR1AHTR2CHRH1DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | claimed |
| CN-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | disclosed |