Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.57 |
| ▸ | CCR5 | P51681 | 1/20 | 0.57 |
| ▸ | CCR8 | P51685 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 4/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19248553 | 0.87 | CCR1 (0.55) | CCR1CCR5CCR8CYP2A6KMO | |
| SCHEMBL31695263 | 0.82 | CCR1 (0.76) | CCR1CCR5CCR8CYP2A6SYK | |
| SCHEMBL27344644 | 0.82 | CCR1 (0.76) | CCR1CCR5CCR8CYP2A6SYK | |
| SCHEMBL19248554 | 0.82 | KMO (0.53) | CCR1CCR5CCR8CYP2A6KMO | |
| SCHEMBL842265 | 0.81 | CCR1 (0.61) | CCR1CCR5CCR8CYP2A6SYK | |
| SCHEMBL6807225 | 0.78 | CCR1 (0.70) | CCR1CCR5CCR8CYP2A6ALDH1A1 | |
| SCHEMBL29463685 | 0.78 | CCR1 (0.70) | CCR1CCR5CCR8CYP2A6ALDH1A1 | |
| SCHEMBL19248539 | 0.77 | CCR1 (0.61) | CCR1CCR5CCR8CYP2A6SYK | |
| SCHEMBL5956691 | 0.77 | CCR1 (0.61) | CCR1CCR5CCR8CYP2A6ALDH1A1 | |
| SCHEMBL6183900 | 0.77 | CCR1 (0.61) | CCR1CCR5CCR8CYP2A6KMO |
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-2002076983-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-03 | — | — | WO | disclosed |