Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21274019 | 0.76 | HSPB1 (0.43) | HSPB1ALDH1A1HIF1ASLC29A1RIPK1 | |
| SCHEMBL1847209 | 0.75 | LOXL2 (0.42) | HSPB1ALDH1A1KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23998043 | 0.69 | ACHE (0.45) | ALDH1A1MAPTPOLBMAPK1HTT | |
| SCHEMBL12354045 | 0.66 | HSPB1 (0.44) | HSPB1ALDH1A1TDP1LMNA | |
| SCHEMBL25263151 | 0.66 | ALDH1A1 (0.44) | ALDH1A1HIF1AMAPTMEN1KMT2A | |
| SCHEMBL15778954 | 0.66 | S1PR4 (0.57) | ALDH1A1RIPK1MAPTMEN1KMT2A | |
| SCHEMBL31156747 | 0.66 | ALDH1A1 (0.55) | ALDH1A1HIF1AMAPTMEN1KMT2A | |
| SCHEMBL18041343 | 0.66 | ALDH1A1 (0.55) | ALDH1A1HIF1AMAPTMEN1KMT2A | |
| SCHEMBL15076454 | 0.65 | ALDH1A1 (0.58) | HSPB1ALDH1A1HIF1AMAPTMEN1 | |
| SCHEMBL16197191 | 0.65 | ALDH1A1 (0.53) | ALDH1A1HIF1AMAPTSMN1; SMN2MEN1 |
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 |