Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 3/20 | 0.42 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3886759 | 0.85 | MYC (0.47) | PGAM1MYCHPGDTTRBRD4 | |
| SCHEMBL28227958 | 0.84 | MYC (0.43) | PGAM1MYCTRPA1KMT2AGAA | |
| SCHEMBL21084 | 0.83 | ALDH1A1 (0.54) | ALDH1A1PGAM1ELANEMYCTRPA1 | |
| SCHEMBL4163086 | 0.81 | NFKB1 (0.45) | ALDH1A1PGAM1MYCKDM4EHPGD | |
| SCHEMBL28396990 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PGAM1ELANEMYCTRPA1 | |
| Hydrochloric Acid SCHEMBL9814070 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PGAM1ELANEMYCTRPA1 | |
| Water SCHEMBL3630768 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PGAM1ELANEMYCTRPA1 | |
| Ammonia Solution, Strong SCHEMBL7744383 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PGAM1ELANEMYCTRPA1 | |
| SCHEMBL458284 | 0.80 | SMN1; SMN2 (0.48) | PGAM1MYCKDM4ECYP1A2KMT2A | |
| Formaldehyde SCHEMBL958921 | 0.79 | ALDH1A1 (0.50) | ALDH1A1PGAM1ELANEMYCTRPA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303562-B1 | ALKYLATING HYDROXYPHENYLBENZENESULFINIC/SULFONIC ACID COMPOUND WITH ALKENE OR SUBSTITUTED ALKENE TO FORM ALKYLATED PRODUCT | ENCHIRA BIOTECHNOLOGY CORPORATION | 2001-10-16 | — | — | US | disclosed |
| WO-2000042005-A1 | COMPOSITIONS COMPRISING 2-(2-HYDROXYPHENYL) BENZENESULFINATE AND ALKYL-SUBSTITUTED DERIVATIVES THEREOF | ENERGY BIOSYSTEMS CORPORATION (US) | 2000-07-20 | — | — | WO | disclosed |