Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755689 | 0.93 | KDM4E (0.32) | CYP2E1OPRM1 | |
| SCHEMBL4789893 | 0.92 | CYP2E1 (0.36) | CYP2E1APOBEC3AAPOBEC3GOPRM1NR1I2 | |
| SCHEMBL4789894 | 0.92 | CYP2E1 (0.36) | CYP2E1APOBEC3AAPOBEC3GOPRM1NR1I2 | |
| SCHEMBL4789892 | 0.89 | CYP2E1 (0.36) | CYP2E1APOBEC3AAPOBEC3GNR1I2 | |
| SCHEMBL4824077 | 0.87 | KDM4E (0.36) | — | |
| SCHEMBL4824071 | 0.87 | KDM4E (0.36) | — | |
| SCHEMBL4157936 | 0.86 | APOBEC3A (0.35) | CYP2E1APOBEC3AAPOBEC3GNR1I2 | |
| SCHEMBL4757713 | 0.83 | KDM4E (0.32) | CYP2E1 | |
| SCHEMBL4838993 | 0.83 | CYP2E1 (0.36) | CYP2E1APOBEC3AAPOBEC3GNR1I2 | |
| SCHEMBL4838987 | 0.83 | CYP2E1 (0.36) | CYP2E1APOBEC3AAPOBEC3GNR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009000818-A1 | 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-31 | — | — | WO | claimed |
| WO-2009000818-A1 | 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009000818-A1 | 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-31 | — | — | WO | disclosed |