Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL6188658 | 0.75 | SLC6A4 (0.40) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL15617669 | 0.74 | SLC6A2 (0.49) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL6187976 | 0.74 | ADRB2 (0.41) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL6188068 | 0.72 | BRD4 (0.46) | CYP2D6CYP2C19IDO1TDO2SLC6A4 | |
| SCHEMBL6186229 | 0.71 | ADRB2 (0.38) | IDO1TDO2SLC6A4SLC6A3ADRB2 | |
| SCHEMBL10977277 | 0.71 | SLC6A4 (0.52) | IDO1TDO2SLC6A4SLC6A3TSHR | |
| SCHEMBL6874895 | 0.69 | SLC6A2 (0.59) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL18682149 | 0.69 | IDO1 (0.54) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL15338275 | 0.69 | IDO1 (0.54) | CYP2D6CYP2C19CYP1A2IDO1TDO2 | |
| SCHEMBL477349 | 0.69 | IDO1 (0.54) | CYP1A2IDO1TDO2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539685-A1 | MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF | Warner-Lambert Company LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004014847-A1 | MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |