Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17630085 | 0.84 | PDE3B (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17629967 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17672859 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17629919 | 0.75 | KDM1A (0.37) | CYP11B2AHR | |
| SCHEMBL17679922 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17630007 | 0.71 | HRH2 (0.36) | ALDH1A1MAPTCYP11B2KDM4EHTT | |
| SCHEMBL17672998 | 0.71 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17630107 | 0.71 | CYP11B1 (0.47) | POLBCYP11B2KDM4EAHRTSHR | |
| SCHEMBL17643067 | 0.71 | ADH5 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17630076 | 0.71 | HRH2 (0.35) | ALDH1A1MAPTCYP11B2KDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |