Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20170881 | 0.81 | CYP1A2 (0.36) | GAABCHEACHECYP3A4CYP1A2 | |
| SCHEMBL18473561 | 0.76 | GAA (0.37) | GAABCHEACHECYP3A4CYP1A2 | |
| SCHEMBL20170713 | 0.75 | AGTR2 (0.41) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20170665 | 0.74 | CYP3A4 (0.41) | GAABCHEACHECYP3A4CYP1A2 | |
| SCHEMBL13301272 | 0.73 | HTR1A (0.34) | ACHE | |
| SCHEMBL26205690 | 0.70 | BCHE (0.39) | BCHEACHECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6260285 | 0.67 | SRD5A1 (0.55) | CYP3A4HSD17B10ALDH1A1KDM4EMAPT | |
| SCHEMBL6249634 | 0.67 | SRD5A1 (0.55) | CYP3A4HSD17B10ALDH1A1KDM4EMAPT | |
| SCHEMBL29885479 | 0.65 | MAOA (0.54) | BCHEACHECYP2D6HSD17B10HIF1A | |
| SCHEMBL21081223 | 0.64 | ACHE (0.34) | GAABCHEACHECYP3A4CYP1A2 |
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-2453895-B1 | (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF | MALLINCKRODT LLC (US) | 2018-05-23 | — | — | EP | disclosed |