Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 4/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL21274133 | 0.82 | HSPB1 (0.41) | HSPB1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL30865768 | 0.77 | CA1 (0.53) | ALDH1A1POLBHTTCA12CA1 | |
| SCHEMBL693396 | 0.76 | TSHR (0.51) | KCNJ1KCNH2CA12CA1CA2 | |
| SCHEMBL21284573 | 0.76 | HSPB1 (0.42) | HSPB1KCNJ1KCNH2ALDH1A1HIF1A | |
| SCHEMBL19127566 | 0.74 | CA1 (0.47) | KCNH2ALDH1A1CA12CA1CA2 | |
| SCHEMBL368915 | 0.74 | CA1 (0.52) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL26181061 | 0.73 | HSD11B1 (0.44) | ALDH1A1HTTHPGDGAACA1 | |
| SCHEMBL29263722 | 0.73 | PSEN1 (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2012983 | 0.73 | KMT2A (0.45) | ALDH1A1HIF1AMAPTHTTGAA | |
| SCHEMBL10615596 | 0.73 | CA1 (0.48) | ALDH1A1POLBMAPTHTTCA12 |
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-2019158634-A1 | DEUTERATED DERIVATIVES OF 9-(2,5-DIFLUOROPHENETHYL)-4-ETHYL-2-METHYL-1-OXA-4,9-DIAZASPIRO[5.5]UNDECAN-3-ONE | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-08-22 | — | — | WO | disclosed |