Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CXCR5 | P32302 | 3/20 | 0.31 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.31 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL5322672 | 0.90 | CASP1 (0.37) | CASP1CA1CA2CYP3A4CHRM1 | |
| SCHEMBL5318595 | 0.83 | NPC1 (0.37) | — | |
| SCHEMBL4862831 | 0.77 | TDP1 (0.34) | CASP1CA1CA2 | |
| SCHEMBL5253676 | 0.76 | ACE (0.36) | CA1CA2CYP3A4CHRM1 | |
| SCHEMBL5188020 | 0.74 | CYP19A1 (0.36) | CHRM1 | |
| SCHEMBL5272076 | 0.71 | CA1 (0.31) | CA1CA2 | |
| Hydrochloric Acid SCHEMBL4853976 | 0.70 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL5257111 | 0.70 | TSHR (0.38) | CASP1CA1CA2CYP3A4CXCR5 | |
| SCHEMBL5255776 | 0.70 | HSD11B1 (0.32) | — | |
| SCHEMBL4696280 | 0.67 | NPC1 (0.41) | — |
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-1537117-B1 | BENZOTRIAZABICYCLIC DERIVATIVES AND USE THEREOF AS BETA-LACTAMASE INHIBITORS AND ANTI-BACTERIAL AGENTS | AVENTIS PHARMA SA (FR) | 2007-01-17 | — | — | EP | disclosed |