Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10046767 | 0.85 | SHBG (0.46) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL9603220 | 0.80 | ALDH1A1 (0.42) | ESR1ESR2ALDH1A1CYP3A4KDM4E | |
| SCHEMBL14213262 | 0.79 | SHBG (0.45) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL17748387 | 0.77 | ESR1 (0.61) | ESR1ESR2GAAKDM4ELMNA | |
| SCHEMBL9007998 | 0.74 | PTGS1 (0.44) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL3864602 | 0.74 | HMGB1 (0.41) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL8846095 | 0.73 | PTGS2 (0.57) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL10551451 | 0.73 | CA1 (0.50) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL2570939 | 0.73 | PTGS2 (0.57) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL2921654 | 0.73 | HMGB1 (0.52) | CA1CA2PTGS1PTGS2SHBG |
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 |
|---|---|---|---|---|---|---|---|
| JP-6287157-A | — | — | None | — | — | JP | disclosed |
| JP-H06287157-A | ALKOXYALKYLCYCLOHEXANOL DERIVATIVE, ITS PRODUCTION AND PERFUME COMPOSITION CONTAINING THE SAME | KAO CORP | 1994-10-11 | — | — | JP | disclosed |