Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GSR | P00390 | 4/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.32 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.32 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499995 | 0.92 | CYP2D6 (0.38) | CYP2D6GSREPHX1BCHENPC1 | |
| SCHEMBL9498012 | 0.82 | PKM (0.40) | CYP2D6GSREPHX1BCHENPC1 | |
| SCHEMBL9497834 | 0.81 | CA12 (0.41) | NPC1MEN1KMT2APOLBKDM4E | |
| SCHEMBL9501651 | 0.81 | CA12 (0.41) | NPC1MEN1KMT2APOLBKDM4E | |
| SCHEMBL9498011 | 0.80 | KMT2A (0.49) | CYP2D6GSREPHX1BCHEMEN1 | |
| SCHEMBL9501643 | 0.80 | SMN1; SMN2 (0.37) | CYP2D6GSREPHX1BCHENPC1 | |
| SCHEMBL9499922 | 0.79 | GSR (0.36) | CYP2D6GSREPHX1BCHENPC1 | |
| Bicarbonate SCHEMBL10444461 | 0.79 | GSR (0.52) | GSREPHX1BCHENPC1RAB9A | |
| SCHEMBL9499990 | 0.77 | GAA (0.44) | EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL10504230 | 0.75 | TPSAB1 (0.44) | TPSAB1TPSD1TPSG1 |
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 2 patents. 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 |
| EP-0367019-A1 | Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds | Roche Diagnostics GmbH (DE) | 1990-05-09 | — | — | EP | disclosed |