Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | PON1 | P27169 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14283893 | 0.95 | BACE1 (0.55) | BACE1TRPA1PON1ALOX15KDM4E | |
| SCHEMBL17251284 | 0.92 | TRPA1 (0.52) | BACE1TRPA1PON1ALOX15KDM4E | |
| SCHEMBL32690127 | 0.86 | ALDH1A1 (0.65) | BACE1TRPA1PON1ALOX15KDM4E | |
| SCHEMBL17254323 | 0.84 | BACE1 (0.62) | BACE1TRPA1PON1KDM4EALDH1A1 | |
| SCHEMBL30538128 | 0.83 | BACE1 (0.59) | BACE1TRPA1PON1ALOX15KDM4E | |
| SCHEMBL4366753 | 0.83 | BACE1 (0.59) | BACE1TRPA1PON1ALOX15KDM4E | |
| SCHEMBL10068940 | 0.80 | TRPA1 (0.56) | BACE1TRPA1PON1ALOX15ALDH1A1 | |
| SCHEMBL1163817 | 0.79 | BACE1 (0.56) | BACE1TRPA1MCL1ACHETDP1 | |
| SCHEMBL29615176 | 0.79 | BACE1 (0.56) | BACE1TRPA1MCL1ACHETDP1 | |
| SCHEMBL20873238 | 0.79 | ALOX5 (0.56) | BACE1ALOX15KDM4EALDH1A1CYP3A4 |
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-0267155-A2 | Bicyclic compounds | Zyma SA (CH) | 1988-05-11 | — | — | EP | disclosed |