Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185187 | 0.77 | MMP2 (0.42) | MMP2MMP9BACE1MEN1KMT2A | |
| SCHEMBL9711704 | 0.73 | MGAT2 (0.42) | MMP2MMP9BACE1MEN1KMT2A | |
| SCHEMBL31504306 | 0.72 | HTR2A (0.41) | MMP2MMP9OPRM1OPRL1KDM4E | |
| SCHEMBL38953 | 0.72 | SMN1; SMN2 (0.56) | MEN1KMT2ATSHRMAPK1KDM4E | |
| SCHEMBL425311 | 0.71 | MEN1 (0.45) | MMP2MMP9BACE1MEN1KMT2A | |
| SCHEMBL1071202 | 0.71 | HTR2A (0.41) | MMP2MMP9OPRM1OPRL1KDM4E | |
| Iodide SCHEMBL11830139 | 0.70 | SMN1; SMN2 (0.54) | MEN1KMT2ATSHRMAPK1KDM4E | |
| Hydrochloric Acid SCHEMBL20704047 | 0.70 | SMN1; SMN2 (0.54) | MEN1KMT2ATSHRMAPK1KDM4E | |
| Water SCHEMBL7733637 | 0.70 | SMN1; SMN2 (0.54) | MEN1KMT2ATSHRMAPK1KDM4E | |
| Water SCHEMBL4837114 | 0.70 | SMN1; SMN2 (0.54) | MEN1KMT2ATSHRMAPK1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011052759-A1 | NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF | 国立大学法人九州大学 (JP) | 2011-05-05 | — | — | WO | disclosed |