Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.31 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.31 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL196718 | 0.88 | CYP3A4 (0.44) | CYP3A4TDP1CA1CA2CA7 | |
| Bromide SCHEMBL28417395 | 0.85 | CYP3A4 (0.42) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL5713320 | 0.85 | CYP3A4 (0.42) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL31328588 | 0.83 | CYP3A4 (0.36) | CYP3A4TDP1CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL21724713 | 0.82 | CYP3A4 (0.40) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL18702923 | 0.78 | CYP3A4 (0.67) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL2543676 | 0.78 | CYP3A4 (0.67) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL10874458 | 0.78 | CYP3A4 (0.67) | CYP3A4TDP1CA1CA2CA7 | |
| SCHEMBL17563446 | 0.76 | ACHE (0.68) | TDP1ACHE | |
| Water SCHEMBL27604157 | 0.76 | CYP3A4 (0.63) | CYP3A4TDP1CA1CA2CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713846-B1 | PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE | UBE INDUSTRIES (JP) | 1998-10-28 | — | — | EP | claimed |
| US-5728890-A | DECOMPOSING CYCLOALKYLHYDROPEROXIDE BY CONTACT WITH A RUTHENIUM COMPLEX | UBE INDUSTRIES, LTD. (JP) | 1998-03-17 | — | — | US | claimed |
| EP-0713846-A1 | PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE | UBE INDUSTRIES, LTD. (JP) | 1996-05-29 | — | — | EP | claimed |
| EP-0713846-B1 | PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE | UBE INDUSTRIES (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5728890-A | DECOMPOSING CYCLOALKYLHYDROPEROXIDE BY CONTACT WITH A RUTHENIUM COMPLEX | UBE INDUSTRIES, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0713846-A1 | PROCESS FOR PRODUCING CYCLOALKANOL AND CYCLOALKANONE | UBE INDUSTRIES, LTD. (JP) | 1996-05-29 | — | — | EP | disclosed |