Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.59 |
| ▸ | SCN1A | P35498 | 3/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.59 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | NSD2 | O96028 | 6/20 | 0.58 |
| ▸ | TP53 | P04637 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | THPO | P40225 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8968288 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2C9CYP2C19SCN1A | |
| SCHEMBL11573784 | 0.83 | NSD2 (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2013174 | 0.81 | FABP4 (0.71) | CYP3A4CYP1A2CYP2C9CYP2C19SCN1A | |
| SCHEMBL11686439 | 0.81 | NSD2 (0.86) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9050527 | 0.79 | NSD2 (0.56) | CYP2C9CYP2C19NSD2NPSR1TSHR | |
| SCHEMBL3871903 | 0.78 | NSD2 (0.51) | CYP3A4CYP1A2CYP2C9CYP2C19SCN1A | |
| SCHEMBL1314962 | 0.78 | NSD2 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19SCN1A | |
| SCHEMBL8488157 | 0.77 | HDAC4 (0.65) | CYP3A4CYP1A2CYP2C9CYP2C19SCN1A | |
| SCHEMBL17751328 | 0.77 | NSD2 (0.60) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1366996 | 0.77 | NSD2 (0.55) | NSD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999050244-A9 | NITROXIDE FREE RADICAL DUAL INDICATOR AGENTS | LIPITEK INC (US) | 1999-12-09 | — | — | WO | disclosed |
| WO-1999050244-A1 | NITROXIDE FREE RADICAL DUAL INDICATOR AGENTS | LIPITEK, INC. (US) | 1999-10-07 | — | — | WO | disclosed |