Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1459530 | 0.87 | SMN1; SMN2 (0.45) | PTGS2ALDH1A1MAPT | |
| SCHEMBL1458892 | 0.85 | CYP2A6 (0.43) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL12744791 | 0.75 | CYP2C9 (0.54) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL4057475 | 0.74 | TBXAS1 (0.55) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2689279 | 0.73 | CYP2A6 (0.51) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL1459537 | 0.73 | SMN1; SMN2 (0.40) | PTGS2KMT2AMEN1HPGDALDH1A1 | |
| SCHEMBL4059984 | 0.72 | TBXAS1 (0.56) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL18642566 | 0.72 | CYP2A6 (0.54) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL1458796 | 0.71 | GSK3B (0.34) | PTGS2HPGDKDM4EALDH1A1MAPT | |
| SCHEMBL1459841 | 0.68 | CYP2A6 (0.42) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013092467-A1 | 7-AZAINDOLE INHIBITORS OF CRAC | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-27 | — | — | WO | disclosed |
| WO-2013050341-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |