Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14304542 | 0.80 | HTR2A (0.46) | HDAC3HDAC1HDAC2SIGMAR1KDM4E | |
| SCHEMBL21880653 | 0.78 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HTR5AABCB1 | |
| SCHEMBL8271528 | 0.75 | HDAC3 (0.41) | HDAC3HDAC1HDAC2SIGMAR1 | |
| SCHEMBL18388633 | 0.72 | HTR5A (0.43) | HDAC3HDAC1HDAC2KDM4EGAA | |
| SCHEMBL6881827 | 0.71 | CA2 (0.41) | ALDH1A1CYP1A2CYP2C19KDM4EGAA | |
| SCHEMBL21887585 | 0.71 | HTR5A (0.40) | HDAC3HDAC1HDAC2HTR5A | |
| SCHEMBL6881951 | 0.70 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HTR5AHTR2A | |
| SCHEMBL727320 | 0.70 | HTR2A (0.43) | HDAC3HDAC1HDAC2KDM4EHTR5A | |
| SCHEMBL14095901 | 0.70 | HDAC3 (0.38) | HDAC3HDAC1HDAC2GAAHTR5A | |
| SCHEMBL6880224 | 0.69 | HDAC3 (0.45) | HDAC3HDAC1HDAC2KDM4EHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011084991-A2 | FLUORINATED HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-14 | — | — | WO | disclosed |