Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | LTA | P01374 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.33 |
| ▸ | RAD1 | O60671 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.31 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL28906223 | 0.79 | ACHE (0.37) | ALDH1A1KDM4EMAPTHPGDMAOA | |
| SCHEMBL10440962 | 0.76 | NPC1 (0.41) | ALDH1A1MAPTHPGDTDP1SLC9A1 | |
| SCHEMBL12480081 | 0.73 | PTGS2 (0.41) | ALDH1A1KDM4EHSD17B10LOXL2LMNA | |
| SCHEMBL28702808 | 0.73 | MAPK1 (0.34) | ALDH1A1KDM4EMAPTHSD17B10MAOA | |
| SCHEMBL8539259 | 0.71 | ALKBH3 (0.44) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL2656782 | 0.71 | L3MBTL1 (0.42) | CA1CA2ALDH1A1KDM4EUSP2 | |
| SCHEMBL28685303 | 0.70 | CA2 (0.51) | CA2 | |
| SCHEMBL6678718 | 0.70 | STS (0.46) | CA2TDP1 | |
| SCHEMBL11782542 | 0.69 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTHPGDLMNA | |
| SCHEMBL29226829 | 0.69 | KCNH2 (0.47) | ALDH1A1KDM4EMAPTHPGDHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113262218-A | Application of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-113181160-A | Application of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-104173272-B | Sustained-release preparation of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-105267967-B | Combined application of isothiocyanate compounds and anti-cancer drugs acting on or influencing DNA (deoxyribonucleic acid) | 无锡杰西医药股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-104117064-B | Combined application of isothiocyanate compounds and hormone drugs | 无锡杰西医药股份有限公司 | 2021-02-26 | — | — | CN | disclosed |