Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.37 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126895 | 0.86 | ATR (0.43) | CYP17A1ATRLMNAPOLBKCNQ4 | |
| SCHEMBL20578044 | 0.84 | CYP17A1 (0.42) | CYP17A1ATRLMNAPOLBKCNQ4 | |
| SCHEMBL29274467 | 0.82 | ATR (0.42) | CYP17A1ATRLMNAPOLBSYK | |
| SCHEMBL30380330 | 0.82 | LMNA (0.43) | CYP17A1ATRLMNAPOLBSYK | |
| SCHEMBL29948386 | 0.82 | ATR (0.42) | CYP17A1ATRLMNAPOLBSYK | |
| SCHEMBL4922310 | 0.82 | LMNA (0.43) | CYP17A1ATRLMNAPOLBSYK | |
| SCHEMBL24663923 | 0.82 | ATR (0.44) | CYP17A1ATRLMNAPOLBSYK | |
| SCHEMBL31500450 | 0.81 | ATR (0.43) | CYP17A1ATRLMNAPOLBKCNQ4 | |
| SCHEMBL30673347 | 0.81 | ATR (0.43) | CYP17A1ATRLMNAPOLBKCNQ4 | |
| SCHEMBL6523050 | 0.81 | ATR (0.40) | CYP17A1ATRLMNAPOLBSYK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017135589-A9 | PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | 삼진제약주식회사 | 2017-10-19 | — | — | WO | disclosed |
| WO-2017135589-A1 | PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | 삼진제약주식회사 | 2017-08-10 | — | — | WO | disclosed |