Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | FADS1 | O60427 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28006374 | 0.78 | PDGFRB (0.50) | EGFRADORA3HDAC1PSMD14NPC1 | |
| SCHEMBL28109482 | 0.77 | EGFR (0.51) | EGFRADORA3HDAC1NPC1RAB9A | |
| SCHEMBL27873799 | 0.70 | ADORA3 (0.66) | EGFRADORA3HDAC1PSMD14NPC1 | |
| SCHEMBL28645156 | 0.70 | ADORA3 (0.65) | EGFRADORA3PSMD14NPC1MAPK1 | |
| SCHEMBL31004010 | 0.70 | ADORA3 (0.65) | EGFRADORA3NPC1MAPK1RAB9A | |
| SCHEMBL4745458 | 0.70 | ADORA3 (0.65) | EGFRADORA3NPC1MAPK1RAB9A | |
| SCHEMBL1734685 | 0.68 | EGFR (1.00) | EGFRFADS1ERBB2ABCG2AURKA | |
| SCHEMBL30301821 | 0.68 | EGFR (1.00) | EGFRFADS1ERBB2ABCG2AURKA | |
| SCHEMBL734813 | 0.67 | CYP1A2 (0.59) | HDAC1NPC1RAB9ACTDSP1FADS1 | |
| SCHEMBL27639947 | 0.67 | NPC1 (0.61) | EGFRADORA3HDAC1PSMD14NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083836-A | H based on quinazoline structure2s compound donator and and application | 徐州医学院 | 2016-11-09 | — | — | CN | disclosed |
| CN-101899011-B | Dithiocarbamates compound, preparation method and application thereof | UNIV BEIJING | 2013-01-16 | — | — | CN | disclosed |
| CN-101899011-A | Dithiocarbamates compound, preparation method and application thereof | UNIV BEIJING | 2010-12-01 | — | — | CN | disclosed |