Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24180223 | 0.93 | AURKA (0.37) | CD274ESR2LTA4HAURKA | |
| SCHEMBL24180139 | 0.86 | DHPS (0.31) | CD274 | |
| SCHEMBL24180269 | 0.84 | ESR1 (0.33) | EGFRPTPN1PSMB1PSMB5NPC1 | |
| SCHEMBL24426978 | 0.84 | CYP3A4 (0.37) | NPSR1KDM4E | |
| SCHEMBL24180280 | 0.82 | PTPN1 (0.38) | EGFRPTPN1NPSR1NPC1RAB9A | |
| SCHEMBL24180230 | 0.75 | CYP3A4 (0.37) | NPSR1KDM4E | |
| SCHEMBL18836853 | 0.75 | EIF4A1 (0.50) | — | |
| SCHEMBL17414026 | 0.75 | EIF4A1 (0.50) | — | |
| SCHEMBL24180227 | 0.74 | CYP3A4 (0.36) | NPSR1KDM4E | |
| SCHEMBL29531664 | 0.74 | ESR1 (0.40) | EGFRPTPN1KDRNPSR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3998257-A1 | FLAVAGLINE DERIVATIVES | PIERRE FABRE MEDICAMENT (FR) | 2022-05-18 | — | — | EP | disclosed |