Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12826823 | 0.96 | AURKA (0.38) | CYP1A1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL12826907 | 0.92 | CYP1A1 (0.38) | CYP1A1FFAR1PPARGKDM4EMEN1 | |
| SCHEMBL12826908 | 0.91 | CYP1A1 (0.37) | CYP1A1FFAR1PPARGKDM4EMEN1 | |
| SCHEMBL12825989 | 0.86 | CYP1A1 (0.41) | CYP1A1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL1459945 | 0.85 | HRH2 (0.41) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL1460274 | 0.82 | HRH2 (0.41) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL12825966 | 0.80 | ORAI1 (0.39) | CYP1A1KDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL1458899 | 0.77 | CYP19A1 (0.38) | — | |
| SCHEMBL12826229 | 0.76 | HRH2 (0.38) | CYP1A1 | |
| SCHEMBL1459793 | 0.76 | HRH2 (0.38) | PRKAG1PRKAA2PRKAB1 |
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-2011036130-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |