Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785639 | 0.88 | NLRP3 (0.35) | IDO1SMN1; SMN2DAOMAOAMAOB | |
| SCHEMBL21189949 | 0.85 | HSD17B10 (0.38) | MAPK1MAOAMAOB | |
| SCHEMBL21189960 | 0.85 | HSD17B10 (0.38) | MAPK1MAOAMAOB | |
| SCHEMBL19785633 | 0.85 | IDO1 (0.36) | IDO1SMN1; SMN2LMNAMAPK1 | |
| SCHEMBL19786075 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL21189901 | 0.81 | MAOB (0.43) | IDO1SMN1; SMN2MAOAMAOB | |
| SCHEMBL21189911 | 0.81 | MAOB (0.43) | IDO1SMN1; SMN2MAOAMAOB | |
| SCHEMBL3891069 | 0.77 | MAOA (0.50) | IDO1SMN1; SMN2OPRK1DAOMAOA | |
| SCHEMBL19786064 | 0.76 | ALDH1A1 (0.40) | SMN1; SMN2LMNAMAPK1MAOAMAOB | |
| SCHEMBL21189914 | 0.76 | MEN1 (0.41) | SMN1; SMN2LMNAMAPK1MAOAMAOB |
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 |