Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 2/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27917806 | 0.85 | ALDH1A1 (0.52) | ALDH1A1PKMGBA1TGFBR1ADRA1A | |
| SCHEMBL27917798 | 0.84 | NPY1R (0.57) | ALDH1A1PKMTGFBR1CNR2CYP2C9 | |
| SCHEMBL27917809 | 0.83 | NPY5R (0.58) | ALDH1A1GBA1NSD2MAPTHPGD | |
| SCHEMBL27917924 | 0.83 | ALDH1A1 (0.70) | ALDH1A1PKMGBA1TGFBR1HDAC3 | |
| SCHEMBL5848417 | 0.82 | MEN1 (0.57) | ALDH1A1GBA1CNR2CYP2C9HDAC3 | |
| SCHEMBL5849554 | 0.82 | MEN1 (0.57) | ALDH1A1GBA1CNR2CYP2C9HDAC3 | |
| SCHEMBL27917833 | 0.82 | TGFBR1 (0.54) | ALDH1A1PKMTGFBR1ADRA1AADRA1B | |
| SCHEMBL28805529 | 0.82 | CNR1 (0.48) | ALDH1A1PKMTGFBR1CNR2ADRA1A | |
| SCHEMBL14834085 | 0.81 | MGLL (0.67) | DPP4TGFBR1CNR2CYP2C9 | |
| SCHEMBL18446034 | 0.80 | HTR1A (0.54) | ALDH1A1PKMGBA1CNR2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103068797-A | Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application | SANOFI SA | 2013-04-24 | — | — | CN | disclosed |