Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1982310 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL1983109 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL1988497 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL6127410 | 0.84 | NOTUM (0.42) | CYP3A4PRKCZHTR2CNOTUMCA12 | |
| SCHEMBL1983143 | 0.84 | KIF11 (0.47) | CYP3A4PRKCZHTR2CNOTUMCA12 | |
| SCHEMBL1982165 | 0.84 | KIF11 (0.47) | CYP3A4PRKCZHTR2CNOTUMCA12 | |
| SCHEMBL240803 | 0.84 | PRKCZ (0.45) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL240802 | 0.84 | PRKCZ (0.45) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL237269 | 0.84 | PRKCZ (0.45) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL1983664 | 0.81 | TSHR (0.49) | CYP3A4CYP2C9CYP2C19LMNATSHR |
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-2455376-A1 | Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |