Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL351393 | 0.83 | AKR1C1 (0.55) | CYP2C19AKR1C1CYP1A2HSD11B1ALDH1A1 | |
| SCHEMBL16113395 | 0.81 | HDAC4 (0.68) | HDAC4CYP2C19AKR1C1HSD11B1ALDH1A1 | |
| SCHEMBL3485961 | 0.80 | AKR1C1 (0.62) | HDAC4CYP2C19AKR1C1CYP1A2HSD11B1 | |
| SCHEMBL1048151 | 0.80 | AKR1C1 (0.68) | HDAC4CYP2C19AKR1C1CYP1A2HSD11B1 | |
| SCHEMBL15912397 | 0.78 | CYP2C19 (0.50) | CYP2C19AKR1C1CYP1A2HSD11B1CYP3A4 | |
| SCHEMBL3821416 | 0.78 | AKR1C1 (0.66) | HDAC4CYP2C19AKR1C1CYP1A2HSD11B1 | |
| SCHEMBL2860893 | 0.78 | AKR1C1 (0.66) | HDAC4CYP2C19AKR1C1CYP1A2HSD11B1 | |
| SCHEMBL10146430 | 0.78 | LMNA (0.44) | CYP2C19AKR1C1CYP1A2HSD11B1ALDH1A1 | |
| SCHEMBL16730897 | 0.77 | CYP2C19 (0.43) | CYP2C19AKR1C1CYP1A2HSD11B1ALDH1A1 | |
| SCHEMBL9685778 | 0.77 | CYP2C19 (0.49) | CYP2C19AKR1C1CYP1A2HSD11B1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2968207-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS | CHDI Foundation, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014159218-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS | CHDI FOUNDATION, INC. (US) | 2014-10-02 | — | — | WO | disclosed |
| WO-2006014664-A2 | CYCLOPENTYLAMINE AND CYCLOHEXYLAMINE DERIVATIVES AS NK-1/SSRI ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |