Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 5/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13428715 | 0.78 | CYP1A2 (0.45) | IDO1TDO2 | |
| SCHEMBL8029809 | 0.76 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL26999319 | 0.76 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL8029813 | 0.76 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL12209855 | 0.74 | AKR1C3 (0.56) | AKR1C3AKR1C1IDO1CYSLTR2CYSLTR1 | |
| SCHEMBL16600897 | 0.74 | IDO1 (0.53) | AKR1C3AKR1C1IDO1TDO2SLC18A3 | |
| SCHEMBL766285 | 0.72 | AKR1C3 (0.53) | AKR1C3AKR1C1IDO1CYSLTR2CYSLTR1 | |
| SCHEMBL22549670 | 0.72 | AKR1C3 (0.49) | AKR1C3AKR1C1IDO1TDO2FFAR1 | |
| Bicarbonate SCHEMBL7572186 | 0.71 | AKR1C3 (0.70) | AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL12209908 | 0.71 | AKR1C3 (0.47) | AKR1C3AKR1C1IDO1CYSLTR2CYSLTR1 |
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-2000076513-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |