Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 20/20 | 0.83 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.83 |
| ▸ | KDR | P35968 | 10/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL21268627 | 0.91 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL21277819 | 0.91 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL21268623 | 0.91 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL20074637 | 0.91 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL20074519 | 0.91 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL21277978 | 0.82 | TGFBR1 (0.82) | TGFBR1MAPK14KDR | |
| SCHEMBL20074584 | 0.81 | TGFBR1 (1.00) | TGFBR1MAPK14KDR | |
| SCHEMBL21733965 | 0.80 | TGFBR1 (0.72) | TGFBR1MAPK14KDR | |
| SCHEMBL20074460 | 0.79 | TGFBR1 (0.80) | TGFBR1MAPK14KDR | |
| SCHEMBL21733992 | 0.78 | TGFBR1 (0.83) | TGFBR1MAPK14KDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018068759-A1 | FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2018-04-19 | — | — | WO | disclosed |