Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 2/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6888915 | 0.79 | ADRA1A (0.41) | CCR1CCR5CCR8KDM4ESLC6A9 | |
| SCHEMBL6887840 | 0.79 | GRIN1 (0.42) | CCR1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL6891238 | 0.78 | ALDH1A1 (0.39) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL15345047 | 0.69 | DRD4 (0.50) | CCR1CCR5CCR8MEN1KMT2A | |
| SCHEMBL17018532 | 0.68 | KDM4E (0.39) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL27446058 | 0.67 | UHRF1 (0.39) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL13781961 | 0.67 | UHRF1 (0.46) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL6888869 | 0.66 | OPRM1 (0.53) | OPRM1OPRD1OPRK1 | |
| SCHEMBL3654886 | 0.66 | CXCR4 (0.45) | ALDH1A1 | |
| SCHEMBL25694323 | 0.65 | UHRF1 (0.45) | CCR1CCR5CCR8KDM4ENOS3 |
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-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |