Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | SRC | P12931 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 7/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1813558 | 0.89 | THRB (0.54) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL8727577 | 0.86 | CYP2D6 (0.48) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL68895 | 0.86 | AKR1C3 (0.51) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL5517061 | 0.86 | AKR1C3 (0.51) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL10785204 | 0.86 | AKR1C3 (0.51) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL12608892 | 0.84 | ESR1 (0.48) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL7258413 | 0.84 | CYP2D6 (0.46) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL7838045 | 0.83 | CYP2D6 (0.61) | CYP2D6SRCESR1ESR2CA2 | |
| SCHEMBL15090831 | 0.81 | CYP2D6 (0.43) | CYP2D6SRCESR1ESR2DRD1 | |
| SCHEMBL31514332 | 0.81 | CYP2D6 (0.43) | CYP2D6SRCESR1ESR2CA2 |
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-5110897-A | Food and beverage containers | GENERAL ELECTRIC COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| EP-0406640-A2 | Thermoplastic polycarbonate compositions having improved oxygen barrier properties | GENERAL ELECTRIC COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |