Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | DHPS | P49366 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ECE1 | P42892 | 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 | |
|---|---|---|---|---|
| SCHEMBL19219823 | 0.78 | KEAP1 (0.49) | KEAP1ALDH1A1MAPTMEN1LMNA | |
| SCHEMBL6947065 | 0.75 | ADRA1D (0.46) | ALDH1A1MAPTMEN1LMNAPOLB | |
| SCHEMBL12300212 | 0.74 | — | — | |
| SCHEMBL27462687 | 0.74 | CYP1A2 (0.56) | KEAP1 | |
| SCHEMBL29024056 | 0.73 | KEAP1 (0.60) | KEAP1MEN1POLBGAAKMT2A | |
| SCHEMBL7797358 | 0.73 | PTPN1 (0.60) | LTA4HALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL5105427 | 0.72 | — | — | |
| SCHEMBL2589277 | 0.72 | — | — | |
| SCHEMBL2589275 | 0.72 | — | — | |
| SCHEMBL371748 | 0.72 | CALM1 (0.46) | MEN1KMT2ACALM1PTPN1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107629033-A | A kind of synthetic method of [60] fullerene benzothiophene derivative that DDQ promotes | 河南师范大学 | 2018-01-26 | — | — | CN | claimed |
| EP-2794601-A1 | ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013092943-A1 | ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2013-06-27 | — | — | WO | disclosed |