Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8051064 | 0.87 | ALDH1A1 (0.36) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8050332 | 0.85 | CYP2C19 (0.32) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8052210 | 0.84 | — | — | |
| SCHEMBL8039672 | 0.83 | ALDH1A1 (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1813544 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3051796 | 0.81 | — | — | |
| SCHEMBL1814694 | 0.74 | BRD4 (0.39) | — | |
| SCHEMBL8049998 | 0.74 | NAAA (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27752052 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL31217646 | 0.73 | ALDH1A1 (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6239145-B1 | USABLE IN ACQUIRING INFORMATION ABOUT ACTIVE OXYGEN OR IN VIVO FREE RADICALS AS BIOLOGICAL IMAGES SUCH AS MAGNETIC RESONANCE IMAGES OR MAGNETOENCEPHALOGRAMS; | DAIITCHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| 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 |