Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12923869 | 0.90 | ADORA1 (0.51) | ADORA1ESR2GPR119MEN1KMT2A | |
| SCHEMBL16328025 | 0.89 | ADORA1 (0.56) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL20998225 | 0.88 | ADORA1 (0.55) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL452692 | 0.86 | ADORA1 (0.60) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL1934813 | 0.86 | ADORA1 (0.57) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL21005765 | 0.86 | ADORA1 (0.56) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL16073007 | 0.86 | NR1H2 (0.50) | ADORA1ESR2NR1H2MEN1KMT2A | |
| SCHEMBL2248825 | 0.85 | ADORA1 (0.56) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL19798976 | 0.84 | ADORA1 (0.52) | ADORA1ESR2NR1H2GPR119MEN1 | |
| SCHEMBL12243830 | 0.84 | ADORA1 (0.49) | ADORA1ESR2NR1H2GPR119MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011057382-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-05-19 | — | — | WO | disclosed |