Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL28653098 | 1.00 | CYP1A2 (0.47) | CYP1A2NPC1RAB9ALMNAL3MBTL1 | |
| SCHEMBL28476983 | 0.89 | ADORA3 (0.35) | NPC1RAB9AL3MBTL1ALDH1A1ADORA3 | |
| SCHEMBL28655312 | 0.83 | NPC1 (0.42) | NPC1RAB9ATSHRSCN2AADORA2A | |
| SCHEMBL28655309 | 0.83 | NPC1 (0.42) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28650363 | 0.83 | ALOX5 (0.37) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28650268 | 0.83 | ALOX5 (0.37) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28661674 | 0.83 | NPC1 (0.42) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28658071 | 0.83 | ALDH1A1 (0.47) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28586105 | 0.79 | NPC1 (0.47) | NPC1RAB9ALMNAL3MBTL1KDM4E | |
| SCHEMBL28647365 | 0.79 | KIF11 (0.52) | ALDH1A1TSHRSCN2AKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111233783-B | Synthetic method of isothiazol-4-yl disulfide derivative | 温州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-111233783-A | Synthesis method of bithiazole-4-yl disulfide derivative | 温州大学 | 2020-06-05 | — | — | CN | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |