Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 9/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 9/20 | 0.60 |
| ▸ | CNR2 | P34972 | 4/20 | 0.54 |
| ▸ | CNR1 | P21554 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | PPARD | Q03181 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4744358 | 0.79 | GABRA1 (0.63) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4742209 | 0.78 | GABRA1 (0.61) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL724850 | 0.77 | NOS2 (0.44) | MEN1KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL530776 | 0.77 | NOS2 (0.44) | MEN1KMT2ACYP3A4 | |
| SCHEMBL525807 | 0.76 | GABRA1 (0.74) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL525761 | 0.76 | GABRA1 (1.00) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL31051046 | 0.75 | GABRA1 (0.60) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL18313945 | 0.74 | ALOX5 (0.75) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL22215973 | 0.74 | GABRA1 (0.89) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| Magnolol SCHEMBL23119980 | 0.73 | GABRA1 (0.85) | GABRA1GABRB2CNR2CNR1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2423181-A1 | Multitarget substituted biphenyl diol derivatives | PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) | 2012-02-29 | — | — | EP | disclosed |
| EP-2423181-A1 | Multitarget substituted biphenyl diol derivatives | PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) | 2012-02-29 | — | — | EP | disclosed |
| WO-2012013691-A1 | MULTITARGET SUBSTITUTED BIPHENYL DIOL DERIVATIVES | PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) | 2012-02-02 | — | — | WO | disclosed |
| WO-2012013691-A1 | MULTITARGET SUBSTITUTED BIPHENYL DIOL DERIVATIVES | PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) | 2012-02-02 | — | — | WO | disclosed |