Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629060 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16618926 | 0.87 | CYP2C9 (0.71) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2629197 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14754253 | 0.77 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1473305 | 0.76 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12215430 | 0.76 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL1472468 | 0.75 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL17954534 | 0.75 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14754234 | 0.74 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914944 | 0.74 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20160214998-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2016-07-28 | — | — | US | disclosed |
| WO-2015051230-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2015-04-09 | — | — | WO | 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-20160214998-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | CCL5, CCR5, CXCL10 | CYP3A4 4235/4885CYP2C9 4831/4885CYP1A2 4318/4885 |
“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.