Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17506782 | 0.84 | HDAC1 (0.37) | HDAC3HDAC1HDAC2HDAC6ACHE | |
| SCHEMBL3949636 | 0.83 | ESR1 (0.54) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL7836049 | 0.83 | TSHR (0.46) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL476625 | 0.83 | PDE2A (0.47) | ACHEPDE2AIDO1 | |
| SCHEMBL14748164 | 0.80 | ALDH1A1 (0.40) | HDAC1HDAC6ESR1PDE2ATSHR | |
| SCHEMBL3950682 | 0.79 | ESR1 (0.43) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL19433290 | 0.79 | CASR (0.40) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL8257902 | 0.79 | CASR (0.46) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL12956711 | 0.79 | CASR (0.40) | HDAC3HDAC1HDAC2HDAC6CASR | |
| SCHEMBL24746116 | 0.79 | HSD11B1 (0.46) | HDAC3HDAC1HDAC2HDAC6CASR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414330-B1 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2013-05-01 | — | — | EP | disclosed |