Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11839065 | 0.86 | SHBG (0.53) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL10821757 | 0.83 | SHBG (0.50) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL10821999 | 0.81 | GSR (0.47) | CA1CA2SHBGLMNAMAPT | |
| SCHEMBL10821963 | 0.81 | CYP2C9 (0.57) | CA1CA2ALDH1A1GAAKDM4E | |
| SCHEMBL68876 | 0.78 | SHBG (0.67) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL3801816 | 0.78 | PTGS1 (0.68) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL14211118 | 0.78 | TRPA1 (0.35) | ESR1ESR2ALDH1A1 | |
| SCHEMBL16670956 | 0.76 | TRPA1 (0.33) | ESR1ESR2ALDH1A1 | |
| SCHEMBL1121332 | 0.76 | SHBG (0.64) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL1023068 | 0.76 | PTGS1 (0.55) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962686-A | FUNGICIDES | HOFFMANN-LA ROCHE INC. (US) | 1999-10-05 | — | — | US | disclosed |
| US-5900486-A | FUNGICIDES | HOFFMANN-LA ROCHE INC. (US) | 1999-05-04 | — | — | US | disclosed |
| EP-0829478-A2 | N-Benzylimidazolium and N-benzyltriazolium derivatives, their preparation and their use as antifungal and antimycotic agents | F. HOFFMANN-LA ROCHE AG (CH) | 1998-03-18 | — | — | EP | disclosed |