Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508961 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL13318973 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6508978 | 0.88 | ALDH1A1 (0.57) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL4317372 | 0.88 | ALDH1A1 (0.57) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL27958219 | 0.86 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL10318577 | 0.83 | ALDH1A1 (0.59) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL4321227 | 0.83 | ALDH1A1 (0.59) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL7526518 | 0.81 | KDM4E (0.64) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL361837 | 0.81 | KDM4E (0.58) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5567501 | 0.81 | KDM4E (0.64) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005070909-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF GEFITINIB | NATCO PHARMA LIMITED (IN) | 2005-08-04 | — | — | WO | disclosed |