Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785898 | 0.88 | MAOB (0.46) | MTNR1AMTNR1BMAOBDHFRPOLB | |
| SCHEMBL19786014 | 0.87 | APP (0.44) | MAOBAPPPOLBMAOARIOK2 | |
| SCHEMBL21189911 | 0.86 | MAOB (0.43) | MTNR1AMTNR1BMAOBPOLBMAOA | |
| SCHEMBL21189901 | 0.86 | MAOB (0.43) | MTNR1AMTNR1BMAOBPOLBMAOA | |
| SCHEMBL21189916 | 0.85 | HRH1 (0.40) | ADORA2AADORA1MTNR1AMTNR1BMAOB | |
| SCHEMBL21190021 | 0.85 | HRH1 (0.40) | ADORA2AADORA1MTNR1AMTNR1BMAOB | |
| SCHEMBL21190093 | 0.85 | ALDH1A1 (0.39) | MTNR1AMTNR1BMAOBMAOACYP1A2 | |
| SCHEMBL21189962 | 0.85 | ALDH1A1 (0.39) | MTNR1AMTNR1BMAOBMAOACYP1A2 | |
| SCHEMBL21190028 | 0.85 | MAOB (0.47) | MTNR1AMTNR1BMAOBMAOACYP1A2 | |
| SCHEMBL21190019 | 0.85 | MAOB (0.47) | MTNR1AMTNR1BMAOBMAOACYP1A2 |
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-2018012947-A1 | NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2018-01-18 | — | — | WO | disclosed |