Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.65 |
| ▸ | KDR | P35968 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | CA9 | Q16790 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | ENPP3 | O14638 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | IKBKB | O14920 | 2/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | DKK1 | O94907 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3759489 | 0.82 | F12 (0.52) | EGFRKDRMAPTAURKAAURKB | |
| SCHEMBL1921849 | 0.80 | ABCG2 (0.53) | EGFRPOLBMAPTIKBKBROCK1 | |
| SCHEMBL20852287 | 0.77 | EGFR (0.60) | EGFRKDRMAPTAURKACYP1A2 | |
| SCHEMBL31098979 | 0.77 | TNF (0.57) | EGFRKDRCYP1A2 | |
| SCHEMBL20356687 | 0.77 | NPC1 (0.56) | EGFRPOLBRXFP1MAPT | |
| SCHEMBL31098966 | 0.77 | TNF (0.57) | EGFRKDRPOLBMAPT | |
| SCHEMBL4497329 | 0.77 | ABCG2 (0.58) | EGFRPOLBMAPTAURKA | |
| SCHEMBL29199898 | 0.77 | ABCG2 (0.56) | EGFRPOLBMAPTROCK1 | |
| SCHEMBL25168740 | 0.77 | ADRA2A (0.51) | EGFRKDRPOLBMAPTROCK1 | |
| SCHEMBL27483940 | 0.76 | POLB (0.68) | EGFRKDRCA2CA9CA12 |
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-105085478-A | Isoquinoline sulfanilamide derivatives, and pharmaceutical composition and pharmaceutical application thereof | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-11-25 | — | — | CN | disclosed |