Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | PHGDH | O43175 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.43 |
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 | 0.82 | PDGFRB (0.50) | EGFRABCG2ERBB2ADORA3KDM4E | |
| SCHEMBL27818902 | 0.77 | EGFR (0.51) | EGFRABCG2HTTERBB2ADORA3 | |
| SCHEMBL28468489 | 0.75 | PTGS1 (0.69) | HTTPTGS1KDM4EALDH1A1HPGD | |
| SCHEMBL27873799 | 0.73 | ADORA3 (0.66) | EGFRABCG2ERBB2ADORA3KDM4E | |
| SCHEMBL14113141 | 0.72 | PTGS1 (0.73) | PTGS1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31004010 | 0.70 | ADORA3 (0.65) | EGFRABCG2TSHRHTTERBB2 | |
| SCHEMBL4745458 | 0.70 | ADORA3 (0.65) | EGFRABCG2TSHRHTTERBB2 | |
| SCHEMBL27639947 | 0.70 | NPC1 (0.61) | EGFRABCG2HTTERBB2ADORA3 | |
| SCHEMBL5067936 | 0.69 | F10 (0.58) | TSHRHTTPTGS1KDM4EALDH1A1 | |
| SCHEMBL2061361 | 0.69 | CFTR (0.67) | HTTPTGS1KDM4EALDH1A1HPGD |
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-106083836-A | H based on quinazoline structure2s compound donator and and application | 徐州医学院 | 2016-11-09 | — | — | CN | disclosed |