Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443074 | 0.85 | CCR1 (0.62) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| SCHEMBL1950538 | 0.83 | CCR1 (0.80) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| Sulfuric Acid SCHEMBL4440496 | 0.83 | CCR1 (0.59) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| SCHEMBL3675985 | 0.82 | CCR1 (0.68) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| Sulfuric Acid SCHEMBL1952168 | 0.80 | CCR1 (0.76) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| SCHEMBL3144697 | 0.80 | ABCB11 (0.62) | CCR1ABCB11SIGMAR1CCR5MCHR1 | |
| SCHEMBL3140521 | 0.79 | ABCB11 (0.70) | CCR1ABCB11SIGMAR1MCHR1ACHE | |
| SCHEMBL3149913 | 0.79 | ABCB11 (0.61) | CCR1ABCB11SIGMAR1CCR5MCHR1 | |
| SCHEMBL13508853 | 0.78 | CCR1 (0.64) | CCR1ABCB11SIGMAR1TEAD1CCR5 | |
| Benzoic Acid SCHEMBL4998239 | 0.78 | ABCB11 (0.72) | CCR1ABCB11SIGMAR1CCR5MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4115885-A1 | A PHARMACEUTICAL COMPOSITION COMPRISING BAY 86-5277 AND SALTS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS AND HYPERINFLAMMATION | Charité - Universitätsmedizin Berlin (DE) | 2023-01-11 | — | — | EP | disclosed |