Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.38 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.38 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.38 |
| ▸ | GSR | P00390 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497701 | 0.92 | CYP2D6 (0.40) | CYP2D6TPSAB1TPSD1TPSG1GSR | |
| SCHEMBL9498012 | 0.80 | PKM (0.40) | CYP2D6GSRBCHENPC1RAB9A | |
| SCHEMBL9795253 | 0.79 | GNAI3 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL9501651 | 0.78 | CA12 (0.41) | NPC1 | |
| SCHEMBL9497834 | 0.78 | CA12 (0.41) | NPC1 | |
| SCHEMBL9498011 | 0.77 | KMT2A (0.49) | CYP2D6GSRBCHEEPHX1 | |
| SCHEMBL9501643 | 0.77 | SMN1; SMN2 (0.37) | CYP2D6GSRBCHENPC1RAB9A | |
| SCHEMBL9499922 | 0.77 | GSR (0.36) | CYP2D6GSRBCHENPC1RAB9A | |
| SCHEMBL9795185 | 0.77 | KEAP1 (0.36) | TPSAB1TPSD1TPSG1CHRNB2CHRNB4 | |
| Bicarbonate SCHEMBL10444461 | 0.77 | GSR (0.52) | GSRBCHENPC1RAB9AEPHX1 |
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 |