Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29932235 | 0.89 | CYP3A4 (0.42) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| Hydrogen Peroxide SCHEMBL28707558 | 0.87 | CYP3A4 (0.45) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL6546769 | 0.85 | CRHBP (0.43) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| Hydrogen Peroxide SCHEMBL9064510 | 0.83 | CRHBP (0.46) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL10775084 | 0.81 | GABRA1 (0.53) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL985925 | 0.81 | GABRA1 (0.52) | CRHBPCRHR2CYP3A4ALDH1A1ESR1 | |
| SCHEMBL28101263 | 0.78 | NR3C2 (0.40) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL15105312 | 0.78 | ALDH1A1 (0.39) | CRHBPCRHR2CYP3A4ALDH1A1ESR1 | |
| SCHEMBL11829651 | 0.77 | CYP3A4 (0.36) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL25137938 | 0.76 | CYP3A4 (0.36) | CRHBPCRHR2CYP3A4ALDH1A1CYP2C19 |
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-4752641-A | POLYFUNCTIONAL MALEIMIDE, ALKENYLPHENOLS OR ALKENYLPHENOL ETHERS, AND ALLYL ESTER OF POLYVALENT CARBOXYLIC ACID OR CYANURIC OR ISOCYANURIC ACID | HITACHI, LTD. (JP) | 1988-06-21 | — | — | US | disclosed |