Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29660 | 0.81 | — | — | |
| SCHEMBL9628677 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL27656714 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL1585279 | 0.79 | — | — | |
| SCHEMBL8524441 | 0.79 | — | — | |
| Methane SCHEMBL21683042 | 0.79 | — | — | |
| Ethyne SCHEMBL28753719 | 0.77 | TAAR1 (0.43) | HSD17B10ALDH1A1HPGDSMN1; SMN2HTT | |
| Piperazine SCHEMBL28840953 | 0.75 | TAAR1 (0.38) | HSD17B10ALDH1A1HPGDMAPTHTT | |
| SCHEMBL14361741 | 0.75 | TAAR1 (0.38) | HSD17B10ALDH1A1HPGDSMN1; SMN2TDP1 | |
| Glycolic Acid SCHEMBL11501012 | 0.72 | CYP2C19 (0.47) | HSD17B10ALDH1A1HPGDSMN1; SMN2TDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315689-B | Disulfanylphthalimide compound, preparation method and application thereof | 四川大学 | 2023-04-07 | — | — | CN | claimed |
| CN-115724786-A | Amide alkane dithiophthalimide compound, preparation method and application thereof | 四川大学 | 2023-03-03 | — | — | CN | claimed |
| CN-114315689-A | Disulfanylphthalimide compound, preparation method and application thereof | 四川大学 | 2022-04-12 | — | — | CN | claimed |
| CN-114315689-B | Disulfanylphthalimide compound, preparation method and application thereof | 四川大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115724786-A | Amide alkane dithiophthalimide compound, preparation method and application thereof | 四川大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-114315689-A | Disulfanylphthalimide compound, preparation method and application thereof | 四川大学 | 2022-04-12 | — | — | CN | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |