Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 5/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.37 |
| ▸ | HRH1 | P35367 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206969 | 1.00 | HTR2B (0.46) | HTR2BCCR1CHRM2CCR5MAPK14 | |
| SCHEMBL7206976 | 0.87 | HTR2B (0.46) | HTR2BCCR1CHRM2CCR5MAPK14 | |
| SCHEMBL995810 | 0.87 | HTR2B (0.46) | HTR2BCCR1CHRM2CCR5MAPK14 | |
| SCHEMBL995811 | 0.87 | HTR2B (0.46) | HTR2BCCR1CHRM2CCR5MAPK14 | |
| SCHEMBL653968 | 0.82 | HTR2B (0.62) | HTR2BCHRM2HRH1KCNH2ALDH1A1 | |
| SCHEMBL653969 | 0.82 | HTR2B (0.62) | HTR2BCHRM2HRH1KCNH2ALDH1A1 | |
| SCHEMBL654984 | 0.81 | CCR1 (0.42) | CCR1CHRM2CCR5HRH1ALDH1A1 | |
| SCHEMBL7210953 | 0.81 | CCR1 (0.42) | CCR1CHRM2CCR5HRH1ALDH1A1 | |
| SCHEMBL654983 | 0.81 | CCR1 (0.42) | CCR1CHRM2CCR5HRH1ALDH1A1 | |
| SCHEMBL7210858 | 0.78 | ALDH1A1 (0.42) | HTR2BCCR1CHRM2CCR5HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6613905-B1 | Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation | MILLENNIUM PHARMACEUTICALS, INC. | 2003-09-02 | — | — | US | disclosed |