Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL580709 | 0.81 | GABRA1 (0.52) | GABRA1GABRB2SLC9A1FGFR1FGFR2 | |
| Hydrochloric Acid SCHEMBL5013100 | 0.79 | GABRA1 (0.50) | GABRA1GABRB2SLC9A1FGFR1FGFR2 | |
| SCHEMBL1806010 | 0.77 | TTR (0.43) | CYP1A2TTRMYCPARP1KDM4E | |
| SCHEMBL8349855 | 0.77 | TTR (0.43) | CYP1A2TTRFGFR1PARP1KDM4E | |
| SCHEMBL1806014 | 0.77 | AURKA (0.45) | CYP1A2TTRMYCPARP1KDM4E | |
| SCHEMBL8432810 | 0.77 | TTR (0.47) | CYP1A2TTRGABRA1GABRB2CTSB | |
| SCHEMBL31504545 | 0.77 | TTR (0.47) | CYP1A2TTRGABRA1GABRB2CTSB | |
| SCHEMBL2523958 | 0.76 | GABRA1 (0.46) | CYP1A2TTRGABRA1GABRB2SLC9A1 | |
| SCHEMBL29394818 | 0.75 | CTSB (0.52) | CYP1A2TTRGABRA1GABRB2CTSB | |
| SCHEMBL34582 | 0.75 | CTSB (0.52) | CYP1A2TTRGABRA1GABRB2CTSB |
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-103819403-B | For treating the disease relevant with fluid retention or salt over loading and the Compounds and methods for of disorder of gastrointestinal tract | 阿德利克斯公司 | 2017-01-04 | — | — | CN | disclosed |