Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2158037 | 0.88 | CYP3A4 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2158053 | 0.85 | CYP3A4 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL14136663 | 0.84 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2157538 | 0.80 | CYP3A4 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2157423 | 0.79 | CYP3A4 (0.37) | CYP3A4 | |
| SCHEMBL2157738 | 0.79 | CYP3A4 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2878555 | 0.78 | CYP3A4 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2158219 | 0.77 | ACLY (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2157537 | 0.77 | ALDH1A1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2158082 | 0.77 | NPC1 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130123242-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-05-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130123242-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | HAVCR2, ZC3HAV1, MAVS | CYP1A2 909/4885CYP2D6 1676/4885CYP2C9 1258/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.