Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 7/20 | 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 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10497373 | 0.86 | SHBG (0.53) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL10821862 | 0.83 | SHBG (0.50) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL670778 | 0.81 | SHBG (0.58) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL10821747 | 0.81 | GSR (0.47) | CA1CA2PTGS1SHBGLMNA | |
| SCHEMBL10821976 | 0.81 | CYP2C9 (0.57) | CA1CA2ALDH1A1GAAKDM4E | |
| SCHEMBL31346731 | 0.80 | ERN1 (0.48) | SHBGHMGB1CXCL12LMNAMAPT | |
| SCHEMBL14186853 | 0.80 | ERN1 (0.48) | SHBGHMGB1CXCL12LMNAMAPT | |
| SCHEMBL96024 | 0.78 | RAPGEF4 (0.33) | ESR1ESR2ALDH1A1LMNA | |
| SCHEMBL3801816 | 0.78 | PTGS1 (0.68) | CA1CA2PTGS1PTGS2SHBG | |
| SCHEMBL68876 | 0.78 | SHBG (0.67) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0471516-A1 | Tricyclic heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-19 | — | — | EP | disclosed |