Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL21189957 | 1.00 | PTGS2 (0.40) | PTGS2MAOBCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21189954 | 0.87 | ALOX5 (0.35) | PTGS2MAOBCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21189912 | 0.86 | MAOB (0.40) | MAOBCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21189959 | 0.86 | MAOB (0.40) | MAOBCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23796535 | 0.81 | IDO1 (0.38) | PTGS2L3MBTL1IDO1 | |
| SCHEMBL23796537 | 0.81 | IDO1 (0.38) | PTGS2L3MBTL1IDO1 | |
| SCHEMBL1121965 | 0.80 | CYP2C19 (0.44) | MAOBCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21189958 | 0.79 | CYP2C19 (0.37) | MAOBCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21190164 | 0.79 | CYP2C19 (0.37) | MAOBCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21190098 | 0.78 | LMNA (0.36) | MAOBCYP2C19ALDH1A1PKMHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019143143-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS | 숙명여자대학교 산학협력단 | 2019-07-25 | — | — | WO | disclosed |
| WO-2019143142-A1 | NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING GLIOBLASTOMA | 숙명여자대학교 산학협력단 | 2019-07-25 | — | — | WO | disclosed |
| 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 |