Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17762898 | 0.90 | CYP1A1 (0.35) | CYP1A1AKT1KDM4EALDH1A1MAPT | |
| SCHEMBL19464540 | 0.87 | CYP1A1 (0.37) | CYP1A1AKT1KDM4EALDH1A1MAPT | |
| SCHEMBL16339675 | 0.85 | ALDH1A1 (0.45) | KDM4EALDH1A1MAPTPDE4BGAA | |
| SCHEMBL16381680 | 0.81 | KDM4E (0.45) | KDM4EALDH1A1GAAHPGDCASP1 | |
| SCHEMBL16340462 | 0.81 | ATM (0.35) | KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL17746859 | 0.81 | CYP1A1 (0.34) | CYP1A1AKT1 | |
| SCHEMBL19464533 | 0.79 | CYP1A1 (0.50) | CYP1A1AKT1KDM4EALDH1A1MAPT | |
| SCHEMBL17762891 | 0.78 | CYP1A1 (0.35) | CYP1A1AKT1KDM4EALDH1A1MAPT | |
| SCHEMBL19464531 | 0.75 | KDM4E (0.34) | CYP1A1AKT1KDM4EALDH1A1MAPT | |
| SCHEMBL15450937 | 0.71 | LIPG (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9790231-B2 | Chromane and chromene derivatives and their use as CRAC modulators | LUPIN LIMITED (IN) | 2017-10-17 | — | — | US | disclosed |