Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2717302 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL17294819 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL9151925 | 0.80 | G6PD (0.44) | ALDH1A1KDM4ECYP3A4KMT2AG6PD | |
| SCHEMBL8591654 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL7857417 | 0.79 | G6PD (0.41) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL2210594 | 0.78 | ALDH1A1 (0.72) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL30688234 | 0.78 | ALDH1A1 (0.72) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL673891 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL29895885 | 0.76 | TSHR (0.43) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL1652088 | 0.76 | TSHR (0.43) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 |
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-6303562-B1 | ALKYLATING HYDROXYPHENYLBENZENESULFINIC/SULFONIC ACID COMPOUND WITH ALKENE OR SUBSTITUTED ALKENE TO FORM ALKYLATED PRODUCT | ENCHIRA BIOTECHNOLOGY CORPORATION | 2001-10-16 | — | — | US | disclosed |