Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8678311 | 1.00 | ACHE (0.58) | ACHEESR1ESR2GABRA1GABRB2 | |
| SCHEMBL20102181 | 0.90 | ACHE (0.71) | ACHEESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL6890943 | 0.85 | ACHE (0.55) | ACHEESR1ESR2ADORA3PPARA | |
| SCHEMBL13708130 | 0.83 | ACHE (0.45) | ACHEESR1ESR2ADORA3PPARA | |
| SCHEMBL10051853 | 0.82 | ACHE (0.55) | ACHEESR1ESR2PPARAALOX12 | |
| SCHEMBL10051849 | 0.82 | ACHE (0.55) | ACHEESR1ESR2PPARAALOX12 | |
| SCHEMBL20225259 | 0.82 | ACHE (0.55) | ACHEESR1ESR2PPARAALOX12 | |
| SCHEMBL10051860 | 0.82 | ACHE (0.55) | ACHEESR1ESR2PPARAALOX12 | |
| SCHEMBL626009 | 0.81 | ACHE (0.44) | ACHEESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL11131641 | 0.81 | ACHE (0.46) | ACHEESR1ESR2GABRA1GABRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6114487-A | COATING AGENT, MOLDING MATERIAL, IMPROVED MOLD RELEASE | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |
| EP-0412407-A2 | Flow-improved high-tensile polycarbonates | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |