Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2786858 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL4262290 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL4263500 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL11747889 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL11602172 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL4267467 | 0.91 | HTR2A (0.49) | HTR2AHIF1ASIGMAR1EPAS1 | |
| SCHEMBL2785609 | 0.84 | HTR2A (0.52) | HTR2ASIGMAR1MAOB | |
| SCHEMBL30081351 | 0.78 | HTR2A (0.46) | HTR2AALDH1A1TSHRSIGMAR1 | |
| SCHEMBL453356 | 0.77 | HTR2A (0.55) | HTR2ASIGMAR1MAOB | |
| SCHEMBL106152 | 0.77 | HTR2A (0.55) | HTR2ASIGMAR1MAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108226345-B | A kind of method of BNST pollutant in detection environment | 哈尔滨工业大学 | 2018-11-30 | — | — | CN | disclosed |
| CN-108051526-B | A kind of method of PREPOD pollutants in detection environment | 哈尔滨工业大学 | 2018-10-30 | — | — | CN | disclosed |
| CN-107957472-B | A kind of method of BENPAT pollutants in detection environment | 哈尔滨工业大学 | 2018-10-30 | — | — | CN | disclosed |
| CN-108226345-A | A kind of method of BNST pollutants in detection environment | 哈尔滨工业大学 | 2018-06-29 | — | — | CN | disclosed |
| CN-108051526-A | A kind of method of PREPOD pollutants in detection environment | 哈尔滨工业大学 | 2018-05-18 | — | — | CN | disclosed |
| CN-107957472-A | A kind of method of BENPAT pollutants in detection environment | 哈尔滨工业大学 | 2018-04-24 | — | — | CN | disclosed |