Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9795208 | 0.80 | MAPT (0.45) | ALDH1A1TDP1NPC1CA12CA1 | |
| SCHEMBL9499480 | 0.79 | MAPT (0.44) | ALDH1A1TDP1NPC1CA12CA1 | |
| SCHEMBL9795136 | 0.78 | MAPT (0.43) | ALDH1A1TDP1NPC1CA12CA1 | |
| SCHEMBL9497749 | 0.78 | MEN1 (0.34) | KMT2AMEN1CYP2C19 | |
| SCHEMBL9498594 | 0.77 | GSTP1 (0.42) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL9497903 | 0.76 | NPC1 (0.42) | ALDH1A1NPC1CA12CA1CA2 | |
| SCHEMBL9499554 | 0.74 | BCHE (0.42) | ALDH1A1NPC1CA12CA1CA2 | |
| SCHEMBL12126190 | 0.74 | ALDH1A1 (0.50) | ALDH1A1NPC1CA12CA1CA2 | |
| SCHEMBL9497890 | 0.73 | CYP2D6 (0.38) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL9497614 | 0.72 | ALDH1A1 (0.44) | ALDH1A1NPC1CA12CA1CA2 |
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 |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |