Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.56 |
| ▸ | IL1RN | P18510 | 1/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12789656 | 0.91 | KEAP1 (0.52) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL10443214 | 0.89 | AR (0.48) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL9807346 | 0.87 | CA1 (0.50) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL3763304 | 0.87 | CA1 (0.54) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL255294 | 0.87 | KEAP1 (0.54) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL11401454 | 0.87 | CA1 (0.48) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL8283911 | 0.87 | CA1 (0.48) | CA1CA2KEAP1IL1RNERAP1 | |
| SCHEMBL15672897 | 0.85 | CA2 (0.56) | CA1CA2KEAP1IL1RNERAP1 | |
| Hydrochloric Acid SCHEMBL21633570 | 0.85 | CA1 (0.52) | CA1CA2KEAP1IL1RNERAP1 | |
| Hydrochloric Acid SCHEMBL31111910 | 0.85 | KEAP1 (0.52) | CA1CA2KEAP1IL1RNERAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005062811-A2 | CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-07-14 | — | — | WO | disclosed |