Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 2/20 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27694364 | 0.87 | DAO (0.35) | P2RX7PARP1 | |
| Ethoxycarbonyl Group SCHEMBL27491187 | 0.83 | RHEB (0.38) | P2RX7NUDT1PPARDMTNR1AMTNR1B | |
| Ethoxycarbonyl Group SCHEMBL27342766 | 0.82 | KDM4E (0.31) | PARP1 | |
| Ethoxycarbonyl Group SCHEMBL27906753 | 0.81 | TRPA1 (0.40) | TRPA1 | |
| SCHEMBL2120711 | 0.81 | PARP1 (0.40) | P2RX7PARP1HRH4TRPA1DRD1 | |
| Ethoxycarbonyl Group SCHEMBL27479240 | 0.78 | RHEB (0.39) | P2RX7 | |
| Ethoxycarbonyl Group SCHEMBL27369293 | 0.77 | AHR (0.39) | — | |
| SCHEMBL28114809 | 0.75 | SRC (0.35) | P2RX7PARP1PPARDMTNR1AMTNR1B | |
| Ethoxycarbonyl Group SCHEMBL27983007 | 0.73 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.72 | AHR (0.62) | — |
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-1161334-A | Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof | SUMITOMO PHARMA (JP) | 1997-10-08 | — | — | CN | disclosed |