Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 6/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 6/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 5/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11586258 | 0.83 | CYP2C19 (0.37) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL316381 | 0.83 | GAA (0.39) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL22472188 | 0.82 | CA1 (0.33) | MAOB | |
| SCHEMBL7941385 | 0.80 | UGT2B7 (0.32) | APLNRMAOB | |
| SCHEMBL995553 | 0.80 | SLC6A1 (0.33) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL17709929 | 0.78 | APLNR (0.48) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL20572948 | 0.78 | SLC6A12 (0.40) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL15231650 | 0.76 | SLC6A12 (0.39) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL3003968 | 0.74 | APLNR (0.39) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL7632199 | 0.73 | ADORA3 (0.33) | — |
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 |