Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL112207 | 0.87 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL8751827 | 0.78 | CYP3A4 (0.39) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL752311 | 0.76 | GABRA1 (0.41) | CYP3A4GABRA1GABRB2TSHR | |
| SCHEMBL11785534 | 0.75 | CYP3A4 (0.59) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL4331650 | 0.73 | CYP3A4 (0.47) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL11207320 | 0.72 | CYP3A4 (0.51) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL941704 | 0.72 | CYP3A4 (0.55) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL159676 | 0.71 | CYP3A4 (0.37) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL10967351 | 0.70 | CYP3A4 (0.49) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL943420 | 0.69 | CYP3A4 (0.38) | CYP3A4GABRA1GABRB2ALDH1A1HPGD |
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-2418247-A1 | Long-life bio-based plastics, method for producing same and usage thereof | Rhein Chemie Rheinau GmbH (DE) | 2012-02-15 | — | — | EP | disclosed |