Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189911 | 0.90 | MAOB (0.43) | MAOBMAPTTP53POLBMTNR1A | |
| SCHEMBL21189901 | 0.90 | MAOB (0.43) | MAOBMAPTTP53POLBMTNR1A | |
| SCHEMBL21190028 | 0.89 | MAOB (0.47) | MAOBMTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL21190019 | 0.89 | MAOB (0.47) | MAOBMTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL21190093 | 0.89 | ALDH1A1 (0.39) | MAOBMAPTMTNR1AMTNR1BCYP1A2 | |
| SCHEMBL21189962 | 0.89 | ALDH1A1 (0.39) | MAOBMAPTMTNR1AMTNR1BCYP1A2 | |
| SCHEMBL19785872 | 0.88 | ADORA2A (0.37) | MAOBPOLBMTNR1AMTNR1BCYP1A2 | |
| SCHEMBL21190021 | 0.85 | HRH1 (0.40) | MAOBMAPTPOLBMTNR1AMTNR1B | |
| SCHEMBL21189916 | 0.85 | HRH1 (0.40) | MAOBMAPTPOLBMTNR1AMTNR1B | |
| SCHEMBL19785649 | 0.85 | APP (0.47) | MAOBMAPTTP53CYP1A2CYP2E1 |
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 |