Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2679430 | 0.93 | CYP2A6 (0.55) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| SCHEMBL4146830 | 0.93 | CYP2A6 (0.55) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| SCHEMBL7848443 | 0.90 | CYP2A6 (0.52) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| SCHEMBL9461723 | 0.79 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL7527708 | 0.79 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL333123 | 0.79 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL4195180 | 0.76 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL4195177 | 0.76 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL9004502 | 0.76 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL806367 | 0.76 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 |
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-0999835-A4 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | ONTOGEN CORP (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-0999835-A1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | Ontogen Corporation (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999002155-A1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | ONTOGEN CORPORATION (US) | 1999-01-21 | — | — | WO | disclosed |
| US-5840721-A | INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS | ONTOGEN CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |