Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RRM1 | P23921 | 1/20 | 0.41 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22987821 | 1.00 | PTGS1 (0.52) | PTGS1KCNH2DPP7ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL29646318 | 0.98 | PTGS1 (0.50) | PTGS1KCNH2DPP7ALDH1A1KMT2A | |
| Oxalic Acid SCHEMBL9795371 | 0.94 | PTGS1 (0.47) | PTGS1KCNH2DPP7ALDH1A1KMT2A | |
| SCHEMBL13165138 | 0.87 | PTGS1 (0.45) | PTGS1KCNH2DPP7ALDH1A1KMT2A | |
| SCHEMBL15623812 | 0.86 | ALDH1A2 (0.54) | DPP7ALDH1A1RRM1ALDH1A2ALDH2 | |
| SCHEMBL4023438 | 0.86 | — | — | |
| SCHEMBL4023434 | 0.86 | — | — | |
| SCHEMBL14738671 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL22980010 | 0.84 | USP2 (0.54) | PTGS1KCNH2DPP7ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL4019254 | 0.84 | USP2 (0.54) | PTGS1KCNH2DPP7ALDH1A1KMT2A |
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 |