Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19786022 | 0.88 | IDO1 (0.38) | DAOSMN1; SMN2IDO1MAOBMAOA | |
| SCHEMBL19786075 | 0.85 | MEN1 (0.31) | MEN1KMT2AGAA | |
| SCHEMBL19786067 | 0.84 | HPGD (0.40) | ACHEHPGDPOLBSMN1; SMN2RAB9A | |
| SCHEMBL19785898 | 0.83 | MAOB (0.46) | ACHEHPGDPOLBSMN1; SMN2MAPT | |
| SCHEMBL19785633 | 0.79 | IDO1 (0.36) | HPGDPOLBSMN1; SMN2RAB9AMEN1 | |
| SCHEMBL19785649 | 0.74 | APP (0.47) | ACHEHPGDSMN1; SMN2MAPTMEN1 | |
| SCHEMBL19786028 | 0.74 | APP (0.47) | ACHEHPGDSMN1; SMN2MAPTMEN1 | |
| SCHEMBL21189949 | 0.73 | HSD17B10 (0.38) | HPGDPOLBRAB9AMEN1ALDH1A1 | |
| SCHEMBL21189960 | 0.73 | HSD17B10 (0.38) | HPGDPOLBRAB9AMEN1ALDH1A1 | |
| SCHEMBL21189901 | 0.72 | MAOB (0.43) | HPGDPOLBSMN1; SMN2RAB9AMAPT |
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 |