Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL89599 | 0.89 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL89601 | 0.88 | GRIN2D (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8262797 | 0.86 | GRIN2D (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8263905 | 0.84 | HDAC1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL90346 | 0.82 | ALDH1A1 (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1800114 | 0.74 | CYP4F2 (0.42) | ROCK2HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL13166745 | 0.74 | HDAC1 (0.45) | HDAC1HDAC3HDAC2NCOR2L3MBTL1 | |
| SCHEMBL1800104 | 0.73 | HDAC1 (0.44) | HDAC1HDAC3HDAC2NCOR2SSTR4 | |
| SCHEMBL3567836 | 0.72 | RIPK1 (0.46) | ROCK2HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL28987476 | 0.72 | PPARG (0.47) | HDAC1HDAC3HDAC2NCOR2L3MBTL1 |
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-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |