Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564610 | 0.84 | GABRA1 (0.50) | GABRA1GABRB2GAAESR1ESR2 | |
| SCHEMBL4446113 | 0.81 | GABRA1 (0.50) | GABRA1GABRB2GAAESR1ESR2 | |
| SCHEMBL2297154 | 0.81 | TYR (0.41) | GAAESR1ESR2ALOX5TYR | |
| SCHEMBL25022588 | 0.80 | GAA (0.38) | GABRA1GABRB2GAAESR1ESR2 | |
| SCHEMBL1922844 | 0.80 | ESR2 (0.42) | ESR1ESR2TYR | |
| SCHEMBL10899219 | 0.79 | GAA (0.44) | GABRA1GABRB2GAAKDM4EALDH1A1 | |
| SCHEMBL69697 | 0.79 | TYR (0.58) | GABRA1GABRB2GAAPOLBALOX5 | |
| SCHEMBL23174983 | 0.78 | GABRA1 (0.44) | GABRA1GABRB2GAAESR1ESR2 | |
| 2-Allylphenol SCHEMBL28249870 | 0.78 | MAPT (0.48) | GABRA1GABRB2GAAESR2POLB | |
| SCHEMBL9296359 | 0.78 | GABRA1 (0.47) | GABRA1GABRB2GAAESR1ESR2 |
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-4480140-A | Process for alkylating phenolic compounds to produce ortho or para-monoalkylated or 2,4- or 2,6-dialkylated phenols | KOPPERS COMPANY, INC. (US) | 1984-10-30 | — | — | US | disclosed |
| US-3992455-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES | KOPPERS COMPANY, INC. (US) | 1976-11-16 | — | — | US | disclosed |