Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7224774 | 0.67 | P2RX7 (0.57) | P2RX7CYP3A4TSHRCA1CA2 | |
| SCHEMBL20008147 | 0.65 | CASP1 (0.35) | CYP3A4TSHR | |
| SCHEMBL27574494 | 0.64 | P2RX7 (0.43) | P2RX7CYP3A4TSHRCA1CA2 | |
| SCHEMBL13664886 | 0.63 | CYP3A4 (0.35) | P2RX7CYP3A4TSHRCA1CA2 | |
| SCHEMBL20008521 | 0.62 | — | — | |
| SCHEMBL22174797 | 0.62 | CYP19A1 (0.38) | CYP3A4TSHRMAOA | |
| SCHEMBL21587030 | 0.62 | P2RX7 (0.48) | P2RX7TSHRCHRM2CHRM3MAOA | |
| SCHEMBL1099858 | 0.61 | CYP3A4 (0.48) | P2RX7CYP3A4TSHRCA1CA2 | |
| SCHEMBL13689798 | 0.61 | CYP3A4 (0.48) | P2RX7CYP3A4TSHRCA1CA2 | |
| SCHEMBL3786681 | 0.61 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2 |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |