Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL894805 | 0.93 | ERN1 (0.57) | ERN1PTGS2CYP2A6CYP3A4ALDH1A1 | |
| Pyrrole SCHEMBL28357672 | 0.84 | ERN1 (0.49) | ERN1PTGS2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL12853987 | 0.83 | CYP2A6 (0.67) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL21110859 | 0.83 | CYP2A6 (0.67) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL10022099 | 0.83 | CYP2A6 (0.47) | ERN1PTGS2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL20541087 | 0.81 | CYP2A6 (0.70) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL30026143 | 0.81 | CYP2A6 (0.70) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL11071868 | 0.80 | ERN1 (0.51) | ERN1PTGS2CYP2A6CYP3A4ALDH1A1 | |
| Benzene SCHEMBL28725386 | 0.79 | LMNA (0.52) | PTGS2CYP2A6ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL29506697 | 0.79 | LMNA (0.52) | PTGS2CYP2A6ALDH1A1SMN1; SMN2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214319-B1 | IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-11-26 | — | — | EP | disclosed |