Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189960 | 0.89 | HSD17B10 (0.38) | HPGDPOLBMEN1ALDH1A1KMT2A | |
| SCHEMBL21189949 | 0.89 | HSD17B10 (0.38) | HPGDPOLBMEN1ALDH1A1KMT2A | |
| SCHEMBL19785633 | 0.85 | IDO1 (0.36) | HPGDPOLBMEN1ALDH1A1KMT2A | |
| SCHEMBL19785863 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19786064 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL21189951 | 0.85 | MEN1 (0.41) | HPGDMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL21189914 | 0.85 | MEN1 (0.41) | HPGDMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL21189961 | 0.85 | APP (0.44) | MEN1ALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL21190092 | 0.85 | APP (0.44) | MEN1ALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL19785639 | 0.84 | NLRP3 (0.35) | HPGDPOLBMEN1ALDH1A1KMT2A |
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 |