Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24838619 | 1.00 | ADRB2 (0.45) | ADRB2HTR1ABCHECNR2CA12 | |
| SCHEMBL31271052 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18544360 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23318482 | 0.91 | ALDH1A1 (0.49) | ADRB2HTR1ABCHECNR2CA12 | |
| SCHEMBL31270750 | 0.90 | CA1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31270840 | 0.89 | CA12 (0.51) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31270890 | 0.88 | DRD2 (0.44) | ADRB2HTR1ACA12CA1CA2 | |
| SCHEMBL18544320 | 0.88 | FDPS (0.59) | ALDH1A1FDPSCYP1A2CYP2D6MAPT | |
| SCHEMBL25815595 | 0.88 | EGFR (0.51) | ADRB2HTR1ABCHECNR2CA12 | |
| SCHEMBL18544359 | 0.85 | FDPS (0.45) | ADRB2HTR1ABCHECNR2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3135110-A1 | 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME | Universitätsklinikum Regensburg (DE) | 2017-03-01 | — | — | EP | disclosed |