Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27958219 | 0.88 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL4317372 | 0.85 | ALDH1A1 (0.57) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL6508978 | 0.85 | ALDH1A1 (0.57) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL362446 | 0.83 | TSHR (0.49) | CYP2D6KDM4ECHEK1TSHRLMNA | |
| SCHEMBL31016516 | 0.81 | ALDH1A1 (0.55) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL13388207 | 0.80 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7526518 | 0.80 | KDM4E (0.64) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL5567501 | 0.80 | KDM4E (0.64) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL3280339 | 0.80 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL361837 | 0.80 | KDM4E (0.58) | CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768796-A1 | PROCESS FOR PREPARING QUINOLINE DERIVATIVES | Exelixis, Inc. (US) | 2014-08-27 | — | — | EP | disclosed |
| EP-2621482-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | Exelixis, Inc. (US) | 2013-08-07 | — | — | EP | disclosed |
| EP-2621483-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | Exelixis, Inc. (US) | 2013-08-07 | — | — | EP | disclosed |
| EP-2593091-A1 | C-MET MODULATOR PHARMACEUTICAL COMPOSITIONS | Exelixis, Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2013059788-A1 | PROCESS FOR PREPARING QUINOLINE DERIVATIVES | EXELIXIS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2012044574-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | EXELIXIS, INC. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012044577-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | EXELIXIS, INC. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012009723-A1 | C-MET MODULATOR PHARMACEUTICAL COMPOSITIONS | EXELIXIS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| EP-2350011-A1 | METHODS OF PREPARING QUINOLINE DERIVATIVES | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010056960-A1 | METHODS OF PREPARING QUINOLINE DERIVATIVES | EXELIXIS INC. (US) | 2010-05-20 | — | — | WO | disclosed |