Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL22321349 | 1.00 | ESR2 (0.41) | ESR2HCRTR2ABCB1EPHX2PTGS1 | |
| SCHEMBL22321348 | 1.00 | ESR2 (0.41) | ESR2HCRTR2ABCB1EPHX2PTGS1 | |
| SCHEMBL28255707 | 0.81 | ABCB1 (0.51) | ESR2ABCB1CES2CES1HTR1A | |
| SCHEMBL3064543 | 0.78 | ESR2 (0.39) | ESR2EPHX2CES2CES1 | |
| SCHEMBL22969367 | 0.73 | ESR2 (0.41) | ESR2HCRTR2ABCB1EPHX2RIPK1 | |
| SCHEMBL13560777 | 0.73 | ESR2 (0.36) | ESR2EPHX2CES2CES1 | |
| SCHEMBL25225834 | 0.72 | KDM1A (0.37) | HCRTR2ABCB1PTGS1PTGS2HTR1A | |
| SCHEMBL25205946 | 0.72 | ABCB1 (0.36) | HCRTR2ABCB1PTGS1PTGS2HTR1A | |
| SCHEMBL31015995 | 0.72 | ABCB1 (0.36) | HCRTR2ABCB1PTGS1PTGS2HTR1A | |
| SCHEMBL31518129 | 0.72 | PTGS1 (0.34) | HCRTR2ABCB1PTGS1PTGS2 |
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-114181136-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2022-03-15 | — | — | CN | disclosed |