Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.49 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.49 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL44801 | 0.85 | CYP2C19 (1.00) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL9261878 | 0.85 | CYP2C19 (0.71) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL29376074 | 0.78 | CYP2C19 (0.67) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL5180190 | 0.78 | CYP2C19 (0.79) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL713206 | 0.76 | CYP2C19 (0.76) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL29101441 | 0.76 | CYP2C19 (0.59) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL11546209 | 0.76 | CYP2C19 (0.58) | CYP2C19KEAP1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3938443 | 0.75 | CYP2C19 (0.73) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL1585162 | 0.75 | CYP2C19 (0.73) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| Succinic Acid SCHEMBL11863609 | 0.75 | CYP2C19 (0.73) | CYP2C19PTGER1PTGER4PTGER3PTGER2 |
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-112210051-A | Antibacterial polypropylene material containing phosphonium salt and organic tin and preparation method thereof | 彭军文 | 2021-01-12 | — | — | CN | disclosed |