Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 19/20 | 0.42 |
| ▸ | KDR | P35968 | 8/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAK | O14976 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | TGFB2 | P61812 | 1/20 | 0.36 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.36 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20074422 | 0.79 | TGFBR1 (0.65) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074423 | 0.79 | TGFBR1 (0.65) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074438 | 0.79 | TGFBR1 (0.65) | TGFBR1KDRMAPK14 | |
| SCHEMBL21733985 | 0.78 | TGFBR1 (0.46) | TGFBR1KDRMAPK14SIRT3TDP1 | |
| SCHEMBL21277756 | 0.78 | TGFBR1 (0.68) | TGFBR1KDRMAPK14GAKRIPK2 | |
| SCHEMBL21733925 | 0.76 | TGFBR1 (0.67) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074389 | 0.73 | TGFBR1 (0.41) | TGFBR1KDRMAPK14SIRT3TDP1 | |
| SCHEMBL21277812 | 0.72 | TGFBR1 (0.41) | TGFBR1KDRMAPK14TGFBR2 | |
| SCHEMBL21277990 | 0.71 | TGFBR1 (0.62) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074397 | 0.69 | TGFBR1 (0.66) | TGFBR1KDRMAPK14RIPK2 |
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 |