Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26057154 | 0.85 | MEN1 (0.37) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL14818665 | 0.83 | CYP1A2 (0.41) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL19738853 | 0.80 | CYP1A2 (0.43) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL13804292 | 0.80 | CYP1A2 (0.43) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL14878611 | 0.80 | CYP1A2 (0.43) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL7960213 | 0.80 | CYP1A2 (0.43) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL22417736 | 0.79 | PIK3CD (0.38) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL16892269 | 0.78 | SMN1; SMN2 (0.43) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL25628746 | 0.78 | CYP1A2 (0.41) | CYP1A2TDP1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL13384026 | 0.77 | CHRNB2 (0.37) | CYP2D6TSHRALDH1A1CYP2C19MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414797-B9 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2009-04-15 | — | — | EP | disclosed |