Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9038978 | 0.94 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL5167250 | 0.90 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL5172139 | 0.88 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL10913981 | 0.86 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9808184 | 0.86 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL5170737 | 0.83 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL14838080 | 0.83 | PTGES (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL418525 | 0.82 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL7260314 | 0.81 | PTGES (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL20495338 | 0.81 | PTGES (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106432153-B | A kind of sulfur-bearing andrographolidume derivative, its pharmaceutical composition, synthetic method, the application in preparation treatment prostate cancer drug | 四川理工学院 | 2019-02-19 | — | — | CN | disclosed |
| CN-106432153-A | Sulfur-containing andrographolide derivative and pharmaceutical composition and synthesis method thereof and application of sulfur-containing andrographolide derivative in preparation of medicine for treating prostatic cancers | 四川理工学院 | 2017-02-22 | — | — | CN | disclosed |