Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.31 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.31 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.31 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844261 | 0.90 | HTR2C (0.31) | HTR2C | |
| SCHEMBL14844390 | 0.84 | STIM1 (0.36) | NR3C2 | |
| SCHEMBL14841206 | 0.76 | CYP2E1 (0.37) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14844358 | 0.76 | KDM4E (0.36) | CYP3A4CYP2C19CYP11B2CYP11B1 | |
| SCHEMBL14840761 | 0.73 | CYP11B1 (0.37) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL15020516 | 0.73 | ORAI1 (0.41) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1459710 | 0.68 | CYP19A1 (0.41) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14844199 | 0.67 | CHRNB2 (0.36) | — | |
| SCHEMBL14841566 | 0.66 | ALOX5AP (0.32) | HTR2C | |
| SCHEMBL14845191 | 0.66 | RAB9A (0.37) | IDO1 |
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-2013050341-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |