Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.65 |
| ▸ | EGFR | P00533 | 7/20 | 0.65 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.65 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.65 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.65 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.65 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.65 |
| ▸ | ABL1 | P00519 | 1/20 | 0.65 |
| ▸ | PIM1 | P11309 | 1/20 | 0.65 |
| ▸ | PRKACA | P17612 | 1/20 | 0.65 |
| ▸ | LTK | P29376 | 1/20 | 0.65 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.65 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.65 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.65 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.65 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL28181386 | 1.00 | NPC1 (0.65) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL28324897 | 0.88 | EGFR (0.73) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL28324896 | 0.88 | EGFR (0.73) | NPC1RAB9APOLBMAPK1ABCG2 | |
| Hydrochloric Acid SCHEMBL8810099 | 0.87 | EGFR (0.71) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL28180909 | 0.81 | MAPT (0.50) | NPC1MAPK1EGFRHTTSMN1; SMN2 | |
| SCHEMBL28851859 | 0.81 | EGFR (0.58) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL8920 | 0.80 | EGFR (1.00) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL29941271 | 0.80 | EGFR (1.00) | NPC1RAB9APOLBMAPK1ABCG2 | |
| SCHEMBL28181381 | 0.80 | EGFR (0.53) | ABCG2EGFRERBB2AURKBKDR | |
| Hydrochloric Acid SCHEMBL8808235 | 0.79 | EGFR (0.90) | NPC1RAB9APOLBMAPK1ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017162-A | 4-P-propenylphenylaminoquinazoline derivative and application thereof in preparation of antitumor drugs | UNIV SHAANXI NORMAL | 2015-11-04 | — | — | CN | disclosed |