Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL2557815 | 0.82 | HDAC4 (0.41) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL1052816 | 0.77 | TSHR (0.46) | ESR1ESR2CYP3A4 | |
| SCHEMBL16957359 | 0.76 | HDAC4 (0.41) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL8657495 | 0.75 | HDAC4 (0.43) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| Hexane SCHEMBL11468774 | 0.73 | MAPT (0.35) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL3556521 | 0.73 | HDAC4 (0.42) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL2162950 | 0.72 | TSHR (0.57) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL19142367 | 0.72 | HDAC4 (0.41) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL7860964 | 0.72 | IDO1 (0.44) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL2339913 | 0.72 | HDAC4 (0.41) | HDAC4HDAC7HDAC5IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042275-A1 | ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES | NPS PHARMACEUTICALS, INC. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999029657-A1 | ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES | NPS PHARMACEUTICALS, INC. (US) | 1999-06-17 | — | — | WO | disclosed |