Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2899064 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP2C19HIF1AFFAR1AKR1C1 | |
| SCHEMBL15059997 | 0.76 | FFAR1 (0.44) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| SCHEMBL27627652 | 0.75 | CYP2C19 (0.38) | CYP3A4CYP2C19HIF1AFFAR1AKR1C1 | |
| SCHEMBL30668922 | 0.75 | NR1H2 (0.52) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| SCHEMBL2733711 | 0.75 | NR1H2 (0.52) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| SCHEMBL474607 | 0.75 | CYP3A4 (0.44) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| SCHEMBL2733709 | 0.75 | NR1H2 (0.52) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| Hydrochloric Acid SCHEMBL29256930 | 0.73 | NR1H2 (0.51) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| Hydrochloric Acid SCHEMBL29256931 | 0.73 | NR1H2 (0.51) | CYP3A4CYP2C19HIF1AFFAR1BDKRB2 | |
| SCHEMBL28211527 | 0.72 | OPRM1 (0.36) | CYP3A4CYP2C19HIF1AFFAR1USP2 |
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-2125870-A1 | INHIBITORS OF HEPATITIS C NS3 PROTEASE | Boehringer Ingelheim International GmbH (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008098368-A1 | INHIBITORS OF HEPATITIS C NS3 PROTEASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-21 | — | — | WO | disclosed |