Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 7/20 | 0.37 |
| ▸ | KDR | P35968 | 7/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FRK | P42685 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28495547 | 0.83 | F11 (0.40) | — | |
| SCHEMBL28239007 | 0.83 | MAP4K4 (0.34) | KDRFLT3MAP4K4EGFRFRK | |
| SCHEMBL28329473 | 0.80 | RXRA (0.37) | FLT1KDRMAP4K4EGFRFRK | |
| SCHEMBL28329357 | 0.80 | F11 (0.33) | FLT1KDRMAP4K4EGFRFRK | |
| SCHEMBL17644828 | 0.80 | KMO (0.36) | FLT3GSK3BCA1CA2CA5A | |
| SCHEMBL28329509 | 0.77 | NOTUM (0.41) | FLT3GSK3BCA1CA2CA5A | |
| SCHEMBL26031187 | 0.70 | FLT3 (0.53) | FLT3GSK3B | |
| SCHEMBL28205243 | 0.70 | CYP1A2 (0.53) | P2RX7 | |
| SCHEMBL10601314 | 0.68 | MAPK9 (0.43) | FLT3GSK3BMAP4K4EGFRFRK | |
| SCHEMBL21863517 | 0.68 | ALDH1A1 (0.41) | — |
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-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |