Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL11315100 | 0.83 | ESR1 (0.47) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL5355232 | 0.76 | ESR1 (0.48) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL247818 | 0.76 | ESR1 (0.48) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL9861932 | 0.75 | CA1 (0.52) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL11126670 | 0.74 | ESR1 (0.46) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL3682450 | 0.74 | ESR1 (0.46) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL5573498 | 0.73 | ESR1 (0.50) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL17286709 | 0.73 | ESR1 (0.45) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL2837831 | 0.73 | ESR1 (0.45) | ESR1ESR2CA1CA2MAPT | |
| SCHEMBL697862 | 0.71 | ESR1 (0.43) | ESR1ESR2CA1CA2MAPT |
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-4746754-A | Preparation of carbonate diisocyanates and related compounds | THE DOW CHEMICAL COMPANY (US) | 1988-05-24 | — | — | US | disclosed |
| US-4272550-A | Omega-[4-(polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio]alkanoic acids and compounds related thereto | SCHERING CORPORATION (US) | 1981-06-09 | — | — | US | disclosed |
| US-4199597-A | Omega-(4-polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio)alkanoic acids and compounds related thereto | SCHERING CORPORATION (US) | 1980-04-22 | — | — | US | disclosed |