Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189915 | 1.00 | PTGS2 (0.42) | PTGS2L3MBTL1ALDH1A1MAPK1HPGD | |
| SCHEMBL19786083 | 0.80 | ALDH1A1 (0.40) | PTGS2ALDH1A1HPGDCYP3A4ALOX15 | |
| SCHEMBL19786023 | 0.80 | ALDH1A1 (0.40) | PTGS2ALDH1A1HPGDCYP3A4ALOX15 | |
| SCHEMBL21189949 | 0.79 | HSD17B10 (0.38) | ALDH1A1MAPK1HPGDCYP3A4RAB9A | |
| SCHEMBL21189960 | 0.79 | HSD17B10 (0.38) | ALDH1A1MAPK1HPGDCYP3A4RAB9A | |
| SCHEMBL11568567 | 0.79 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1MAPK1HPGDALOX15 | |
| SCHEMBL170050 | 0.79 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1MAPK1HPGDALOX15 | |
| SCHEMBL19785866 | 0.78 | MTNR1A (0.40) | PTGS2ALDH1A1MAOAMAOB | |
| SCHEMBL19786117 | 0.78 | MTNR1A (0.40) | PTGS2ALDH1A1MAOAMAOB | |
| SCHEMBL21190025 | 0.78 | ALDH1A1 (0.41) | ALDH1A1MAPK1CYP3A4RAB9ANPC1 |
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 |