Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6198122 | 0.86 | TSHR (0.40) | ITGB2ICAM1ITGALMMP1MMP3 | |
| Tert-Butyl Formate SCHEMBL28060583 | 0.84 | TDP1 (0.35) | ITGB2ICAM1ITGALTDP1MMP1 | |
| Tert-Butyl Formate SCHEMBL28060457 | 0.84 | TSHR (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28060454 | 0.84 | TSHR (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL654591 | 0.82 | PARP1 (0.42) | ITGB2ICAM1ITGALNR1H2NR1H3 | |
| SCHEMBL28442303 | 0.82 | PARP1 (0.38) | ITGB2ICAM1ITGALNR1H2NR1H3 | |
| SCHEMBL1634791 | 0.82 | PARP1 (0.42) | ITGB2ICAM1ITGALNR1H2NR1H3 | |
| SCHEMBL6350612 | 0.82 | PARP1 (0.42) | ITGB2ICAM1ITGALNR1H2NR1H3 | |
| Ammonia Solution, Strong SCHEMBL22169218 | 0.81 | PARP1 (0.42) | ITGB2ICAM1ITGALNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL15645732 | 0.81 | PARP1 (0.42) | ITGB2ICAM1ITGALNR1H2NR1H3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |