Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9499922 | 0.87 | GSR (0.36) | SMN1; SMN2HSD17B10EPHX1CYP2D6GSR | |
| SCHEMBL9497701 | 0.80 | CYP2D6 (0.40) | EPHX1CYP2D6GSRBCHENPC1 | |
| SCHEMBL9795306 | 0.79 | BCHE (0.33) | SMN1; SMN2HSD17B10BCHE | |
| Cyclohexanol SCHEMBL9499915 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2HSD17B10EPHX1CYP2D6L3MBTL1 | |
| SCHEMBL9499995 | 0.77 | CYP2D6 (0.38) | EPHX1CYP2D6GSRBCHENPC1 | |
| Fumaric Acid SCHEMBL9795180 | 0.77 | SMN1; SMN2 (0.42) | SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9498012 | 0.74 | PKM (0.40) | SMN1; SMN2EPHX1CYP2D6GSRBCHE | |
| Bicarbonate SCHEMBL10444461 | 0.73 | GSR (0.52) | EPHX1GSRBCHENPC1RAB9A | |
| SCHEMBL4936016 | 0.73 | KDM4E (0.48) | SMN1; SMN2HSD17B10CYP2D6KDM4E | |
| SCHEMBL9795174 | 0.72 | FPR3 (0.31) | — |
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-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | disclosed |