Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26558524 | 0.97 | RPS6KB1 (0.34) | RPS6KB1HDAC1HDAC2CHEK2PTGS1 | |
| SCHEMBL26558502 | 0.95 | RPS6KB1 (0.35) | RPS6KB1HDAC1HDAC2PTGS1PTGS2 | |
| SCHEMBL26565787 | 0.85 | CTSK (0.35) | RPS6KB1 | |
| SCHEMBL26481792 | 0.83 | CTSK (0.35) | RPS6KB1 | |
| SCHEMBL26482595 | 0.81 | CYP3A4 (0.37) | RPS6KB1HDAC1HDAC2PTGS1PTGS2 | |
| SCHEMBL27410174 | 0.81 | MCHR1 (0.31) | — | |
| SCHEMBL27027777 | 0.80 | S1PR1 (0.31) | KCNH2AAK1 | |
| SCHEMBL26481791 | 0.80 | CTSK (0.35) | RPS6KB1 | |
| SCHEMBL26566634 | 0.79 | PTGS1 (0.34) | PTGS1PTGS2 | |
| SCHEMBL26558469 | 0.78 | CHRM2 (0.35) | RPS6KB1HDAC1HDAC2PTGS1PTGS2 |
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-2023198671-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-19 | — | — | WO | disclosed |