Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29457608 | 0.83 | SLC6A3 (0.35) | MEN1KMT2ASMN1; SMN2LMNATP53 | |
| SCHEMBL29457606 | 0.80 | ADRB2 (0.37) | SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL29457625 | 0.79 | POLB (0.38) | SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL29457622 | 0.78 | CYP17A1 (0.39) | TSHRCYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL29510607 | 0.77 | CYP17A1 (0.41) | CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL29457597 | 0.72 | CA12 (0.37) | SMN1; SMN2LMNANR1H2CYP3A4TSHR | |
| SCHEMBL22824004 | 0.72 | PDE2A (0.51) | PDE2ACYP3A4ALDH1A1 | |
| SCHEMBL29457673 | 0.72 | UGT2B7 (0.44) | MEN1KMT2ATSHRCYP1A2 | |
| SCHEMBL29457650 | 0.71 | NOS2 (0.31) | HTTALDH1A1 | |
| SCHEMBL6002598 | 0.70 | PDE2A (0.46) | PDE2AMEN1KMT2ASMN1; SMN2LMNA |
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-2022074177-A1 | DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION | Technische Universität Berlin (DE) | 2022-04-14 | — | — | WO | disclosed |