Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL18508632 | 0.90 | TRPA1 (0.36) | TRPA1CNR2OPRM1 | |
| SCHEMBL18601207 | 0.81 | PTGS2 (0.47) | CNR2PTGS1PTGS2KDM4E | |
| SCHEMBL8363222 | 0.80 | HTR2A (0.36) | PARP1CYP2A6PTGS1PTGS2KDM4E | |
| SCHEMBL14948811 | 0.79 | PARP1 (0.39) | PARP1CYP2A6KDM4E | |
| SCHEMBL14252734 | 0.78 | LIPE (0.36) | PARP1CNR2KDM4E | |
| SCHEMBL19346099 | 0.76 | TRPA1 (0.39) | TRPA1 | |
| SCHEMBL26462276 | 0.76 | PTGS2 (0.47) | CYP2A6PTGS2 | |
| SCHEMBL30542231 | 0.76 | PTGS2 (0.47) | CYP2A6PTGS2 | |
| SCHEMBL18509016 | 0.76 | SELL (0.39) | TRPA1PARP1CYP2A6PTGS1PTGS2 | |
| SCHEMBL9846177 | 0.75 | PARP1 (0.36) | PARP1CYP2A6PTGS1PTGS2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2168952-B1 | MORPHOLINE DERIVATIVES AS RENIN INHIBITORS | MITSUBISHI TANABE PHARMA CORP (JP) | 2017-02-15 | — | — | EP | disclosed |