Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.65 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27882737 | 0.93 | TAAR1 (0.61) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL27900192 | 0.89 | TAAR1 (0.69) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL28309568 | 0.83 | AGXT (0.58) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL28632619 | 0.83 | TAAR1 (0.65) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL27882665 | 0.82 | TAAR1 (0.69) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL1817958 | 0.81 | TAAR1 (0.63) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL7786181 | 0.80 | TAAR1 (0.61) | TAAR1CYP17A1CYP11B1CYP3A4CYP11B2 | |
| SCHEMBL900638 | 0.80 | TAAR1 (0.59) | TAAR1AGXTMAOB | |
| SCHEMBL27900188 | 0.79 | MAOB (0.40) | TAAR1AGXTMAOB | |
| SCHEMBL27900219 | 0.79 | MAOB (0.65) | TAAR1ESR2HCAR2MAOBGRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101277740-B | Antituberculous composition comprising azole compound | OTSUKA PHARMA CO LTD | 2012-12-05 | — | — | CN | disclosed |