Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5104405 | 0.82 | MAPK14 (0.43) | ALDH1A1MAPK14 | |
| SCHEMBL14033944 | 0.81 | TDP1 (0.46) | ALDH1A1MAPK14HPGDTDP1 | |
| SCHEMBL5097721 | 0.70 | RIPK3 (0.52) | MAPK14MAPTTDP1 | |
| SCHEMBL5641941 | 0.68 | GRM1 (0.40) | CYP1A2METAP2KDM4EMDM2MAPK14 | |
| SCHEMBL6584576 | 0.66 | MAPK14 (0.47) | KDM4EMAPK14HPGDTDP1SMN1; SMN2 | |
| SCHEMBL22507263 | 0.65 | GRIA1 (0.58) | ALDH1A1KMT2AMEN1CYP1A2KDM4E | |
| SCHEMBL22522533 | 0.65 | GRIA1 (0.58) | ALDH1A1KMT2AMEN1CYP1A2KDM4E | |
| SCHEMBL7686847 | 0.64 | GAA (0.59) | ALDH1A1KMT2AMEN1KDM4EGFER | |
| SCHEMBL5104334 | 0.64 | MAPK14 (0.54) | MAPK14 | |
| SCHEMBL4884791 | 0.63 | CYP2A6 (0.53) | ALDH1A1KMT2AMEN1KDM4EMDM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7442713-B2 | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE GMBH (DE) | 2008-10-28 | — | — | US | disclosed |
| US-7442713-B2 | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE GMBH (DE) | 2008-10-28 | — | — | US | disclosed |
| US-7253191-B2 | 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry | MERCKLE GMBH (DE) | 2007-08-07 | — | — | US | disclosed |
| US-7253191-B2 | 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry | MERCKLE GMBH (DE) | 2007-08-07 | — | — | US | disclosed |