Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1164698 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL20958347 | 0.86 | SLC6A2 (0.50) | ALDH1A1OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL20958345 | 0.86 | SLC6A2 (0.50) | ALDH1A1OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL20958343 | 0.86 | SLC6A2 (0.50) | ALDH1A1OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL12875510 | 0.84 | CHRM2 (0.50) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL20958273 | 0.82 | NAAA (0.51) | OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL20958276 | 0.82 | NAAA (0.51) | OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL20958274 | 0.82 | NAAA (0.51) | OPRK1KCNH2SLC6A2SLC6A3 | |
| SCHEMBL14860921 | 0.81 | SLC6A2 (0.47) | OPRK1KCNH2SLC6A2SLC6A3EPHX2 | |
| SCHEMBL20958387 | 0.81 | SLC6A2 (0.63) | OPRK1KCNH2SLC6A2SLC6A3EPHX2 |
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-2011021645-A1 | BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF | 大日本住友製薬株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |