Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | GALR1 | P47211 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28572205 | 0.96 | HSP90AA1 (0.44) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL18464121 | 0.94 | HSP90AA1 (0.46) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL17210747 | 0.92 | NPC1 (0.42) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL28574546 | 0.92 | NPC1 (0.42) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL19493538 | 0.89 | ESR2 (0.45) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL18385879 | 0.87 | NPC1 (0.39) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL18385877 | 0.87 | NPC1 (0.39) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL8767041 | 0.86 | CYP3A4 (0.36) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL8767043 | 0.86 | CYP3A4 (0.36) | HSP90AA1GAAMAPTKMT2ATDP1 | |
| SCHEMBL17150763 | 0.85 | CYP3A4 (0.41) | HSP90AA1GAAMAPTKMT2ATDP1 |
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-108178720-B | Synthetic method of 4-cyclobutyl biphenyl fluorine-containing compound | 山东盛华新材料科技股份有限公司 | 2021-04-13 | — | — | CN | disclosed |