Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL21190025 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPK1MAOAMAOBMTNR1A | |
| SCHEMBL21191981 | 0.90 | ALDH1A1 (0.38) | ALDH1A1MAPK1MAOAMAOBMTNR1A | |
| SCHEMBL19786005 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MAPK1MAOAMAOBMTNR1A | |
| SCHEMBL19785903 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MAPK1MAOAMAOBMTNR1A | |
| SCHEMBL19786121 | 0.80 | MTNR1A (0.43) | MAPK1MAOAMAOBMTNR1AMTNR1B | |
| SCHEMBL19786070 | 0.80 | MTNR1A (0.43) | MAPK1MAOAMAOBMTNR1AMTNR1B | |
| SCHEMBL21189949 | 0.78 | HSD17B10 (0.38) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL21189915 | 0.78 | PTGS2 (0.42) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL21189960 | 0.78 | HSD17B10 (0.38) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL19785630 | 0.78 | PTGS2 (0.42) | ALDH1A1MAPK1MAOAMAOBFFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019143143-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS | 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 |