Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | CYP46A1 | Q9Y6A2 | 4/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23365209 | 0.90 | GRIN2B (0.45) | GRIN2BCYP46A1AVPR1AEPHX2DPP4 | |
| SCHEMBL5238677 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL27967465 | 0.83 | CYP46A1 (0.48) | GRIN2BCYP46A1AVPR1AGRIN2DGRIN3B | |
| SCHEMBL14840951 | 0.82 | DPP4 (0.46) | DPP4 | |
| SCHEMBL14840345 | 0.81 | GRIN2B (0.42) | GRIN2BCYP46A1AVPR1AEPHX2ALDH1A1 | |
| SCHEMBL27967297 | 0.75 | HTR2A (0.48) | GRIN2BCYP46A1DPP4ALDH1A1DPP7 | |
| SCHEMBL23365140 | 0.75 | DPP4 (0.39) | GRIN2BDPP4ALDH1A1HTTKDM1A | |
| SCHEMBL5240121 | 0.75 | GRIN2B (0.41) | GRIN2BDPP4ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL14840786 | 0.74 | GRIN2B (0.40) | GRIN2BDPP4ALDH1A1HTT | |
| SCHEMBL14840604 | 0.74 | CYP46A1 (0.75) | CYP46A1AVPR1ACYP3A4 |
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-103842356-A | 1 - arylcarbonyl - 4 - oxy - piperidine compounds useful for the treatment of neurodegenerative diseases | TAKAEDA CHEMICAL IND LTD | 2014-06-04 | — | — | CN | disclosed |