Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 9/20 | 0.33 |
| ▸ | PPARG | P37231 | 8/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 3/20 | 0.31 |
| ▸ | RXRG | P48443 | 3/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | RARA | P10276 | 2/20 | 0.31 |
| ▸ | RARB | P10826 | 2/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL809465 | 0.94 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL809466 | 0.94 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7205602 | 0.86 | SMN1; SMN2 (0.36) | CYP2C9CYP2C19AKR1C3TBXAS1APEX1 | |
| SCHEMBL7206085 | 0.82 | HSPA5 (0.36) | CYP1A2CYP3A4TSHRAKR1C3RARB | |
| SCHEMBL7200632 | 0.81 | RXRA (0.38) | RXRAPPARGAKR1C3RARGRXRB | |
| SCHEMBL7200672 | 0.78 | CYP3A4 (0.37) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4145596 | 0.76 | RXRA (0.35) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4145601 | 0.76 | RXRA (0.35) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14673352 | 0.73 | HSPA5 (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL809386 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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-2003028731-A1 | CHK1 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |
| US-6525120-B2 | Stabilization using bisphenol ester | SUMITOMO CHEMICAL CO., LTD. (JP) | 2003-02-25 | — | — | US | disclosed |
| US-20020002249-A1 | Polymer composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-01-03 | — | — | US | disclosed |