Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL526594 | 1.00 | NOS2 (0.47) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| SCHEMBL525549 | 0.85 | SLC6A4 (0.59) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| SCHEMBL724850 | 0.85 | NOS2 (0.44) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL725835 | 0.85 | SLC6A2 (0.60) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL530776 | 0.84 | NOS2 (0.44) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| SCHEMBL525534 | 0.84 | GABRA1 (0.54) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL530274 | 0.83 | GABRA1 (0.53) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| SCHEMBL525899 | 0.82 | SLC6A4 (0.52) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL726060 | 0.81 | SLC6A4 (0.51) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 | |
| SCHEMBL526216 | 0.80 | SLC6A4 (0.48) | NOS2SLC6A4SLC6A2CYP2D6CYP3A4 |
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 | claimed |
| WO-2012013691-A1 | MULTITARGET SUBSTITUTED BIPHENYL DIOL DERIVATIVES | PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) | 2012-02-02 | — | — | WO | claimed |
| 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 |