Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19513926 | 1.00 | ADA (0.41) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28211074 | 0.98 | ADA (0.42) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27665922 | 0.88 | ADA (0.39) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1976349 | 0.80 | ADA (0.34) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25521022 | 0.80 | CYSLTR2 (0.46) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11350827 | 0.78 | CYSLTR2 (0.47) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2464810 | 0.78 | MEN1 (0.46) | CSNK1EALDH1A1 | |
| SCHEMBL20711188 | 0.78 | CYSLTR2 (0.47) | ADACSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2469240 | 0.78 | MEN1 (0.46) | CSNK1EALDH1A1 | |
| SCHEMBL2370614 | 0.78 | MEN1 (0.46) | CSNK1EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004067505-A2 | BISMUTH DITHIOCARBAMATE COMPOUNDS AND USES THEREOF | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2004-08-12 | — | — | WO | disclosed |