Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.38 |
| ▸ | XIAP | P98170 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9501675 | 1.00 | KMT2A (0.40) | KMT2ASMYD3XIAPLMNABLM | |
| SCHEMBL9497748 | 0.79 | SMYD3 (0.39) | KMT2ASMYD3XIAPLMNABLM | |
| SCHEMBL9499642 | 0.79 | SMYD3 (0.39) | KMT2ASMYD3XIAPLMNABLM | |
| SCHEMBL9795289 | 0.79 | SMYD3 (0.39) | KMT2ASMYD3XIAPLMNABLM | |
| SCHEMBL9795380 | 0.79 | ALDH1A1 (0.38) | KMT2ASMYD3LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL9499613 | 0.79 | DRD2 (0.31) | SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9795454 | 0.79 | DRD2 (0.31) | SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL22987448 | 0.78 | — | — | |
| SCHEMBL3562819 | 0.78 | — | — | |
| SCHEMBL2156256 | 0.78 | — | — |
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 |