Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17057 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| SCHEMBL291552 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TRPA1TSHRSOAT1CYP2C19 | |
| SCHEMBL10578443 | 0.85 | — | — | |
| SCHEMBL6934821 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| Ethane SCHEMBL28190088 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| Fluoride SCHEMBL29068323 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| Hydrogen Peroxide SCHEMBL28922349 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| SCHEMBL13465919 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| Bicarbonate SCHEMBL21462683 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| Bicarbonate SCHEMBL278365 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HCAR2LMNAESR1CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4568759-A | Preparation of epoxides | THE DOW CHEMICAL COMPANY (US) | 1986-02-04 | — | — | US | disclosed |