Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7938010 | 0.87 | MAOB (0.30) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8049998 | 0.84 | NAAA (0.36) | ALDH1A1GAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8050880 | 0.81 | DGKA (0.38) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1813544 | 0.81 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8050332 | 0.75 | CYP2C19 (0.32) | ALDH1A1GAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16710259 | 0.75 | GAA (0.33) | ALDH1A1GAAHTTCYP3A4CYP2D6 | |
| SCHEMBL1814694 | 0.74 | BRD4 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8052210 | 0.74 | — | — | |
| SCHEMBL8039672 | 0.73 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7178038 | 0.72 | APLNR (0.36) | SMN1; SMN2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0995740-A1 | NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |