Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189949 | 0.89 | HSD17B10 (0.38) | KMT2AMEN1KDM4ENPC1CYP1A2 | |
| SCHEMBL21189960 | 0.89 | HSD17B10 (0.38) | KMT2AMEN1KDM4ENPC1CYP1A2 | |
| SCHEMBL19786064 | 0.85 | ALDH1A1 (0.40) | NPC1LMNAALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL21189914 | 0.85 | MEN1 (0.41) | KMT2AMEN1KDM4ENPC1LMNA | |
| SCHEMBL19786067 | 0.85 | HPGD (0.40) | KMT2AMEN1KDM4ENPC1ALDH1A1 | |
| SCHEMBL19785863 | 0.85 | ALDH1A1 (0.40) | NPC1LMNAALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL21189951 | 0.85 | MEN1 (0.41) | KMT2AMEN1KDM4ENPC1LMNA | |
| SCHEMBL19786022 | 0.85 | IDO1 (0.38) | IDO1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL21190092 | 0.82 | APP (0.44) | KMT2AMEN1NPC1LMNAALDH1A1 | |
| SCHEMBL21189961 | 0.82 | APP (0.44) | KMT2AMEN1NPC1LMNAALDH1A1 |
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 |