Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19990787 | 0.91 | RIPK1 (0.30) | — | |
| SCHEMBL28695065 | 0.84 | NR1H2 (0.39) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL23927099 | 0.78 | CYP1A2 (0.36) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL31341714 | 0.74 | CHRM2 (0.36) | NR1H2ARCHRM2CHRM1CHRM3 | |
| SCHEMBL22368483 | 0.74 | DUT (0.30) | — | |
| SCHEMBL13598441 | 0.72 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL4274093 | 0.72 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL14145046 | 0.72 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL1446403 | 0.72 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL1446404 | 0.72 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19NR1H2 |
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-3698796-B1 | PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS | NOVARTIS AG (CH) | 2021-10-27 | — | — | EP | disclosed |