Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 5/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1568442 | 0.98 | TSHR (0.40) | TSHRSOAT1PSMB5PTPN1KDM4E | |
| SCHEMBL2551269 | 0.93 | SOAT1 (0.41) | TSHRSOAT1PTPN1CNR1CNR2 | |
| SCHEMBL28240111 | 0.91 | SOAT1 (0.43) | TSHRSOAT1PTPN1 | |
| SCHEMBL28240070 | 0.91 | SOAT1 (0.43) | TSHRSOAT1PTPN1 | |
| SCHEMBL28240068 | 0.91 | SOAT1 (0.43) | TSHRSOAT1PTPN1 | |
| SCHEMBL28241062 | 0.87 | DPP4 (0.36) | SOAT1PTPN1DPP4PDCD1CD274 | |
| SCHEMBL15658031 | 0.87 | BCHE (0.36) | TSHRSOAT1PTPN1 | |
| SCHEMBL22675923 | 0.82 | SOAT1 (0.38) | TSHRSOAT1PSMB5PTPN1KDM4E | |
| SCHEMBL1906252 | 0.81 | ALDH1A1 (0.36) | SOAT1PTPN1 | |
| SCHEMBL15660148 | 0.80 | KCNH2 (0.35) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756064-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |