Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | MST1R | Q04912 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27922982 | 0.82 | HCAR2 (0.41) | HCAR2VNN1CYP19A1TDP1 | |
| SCHEMBL27405232 | 0.80 | PTGS2 (0.45) | HCAR2 | |
| SCHEMBL1808417 | 0.78 | HCAR2 (0.38) | HCAR2VNN1CYP19A1 | |
| SCHEMBL17233924 | 0.76 | CYP17A1 (0.50) | CYP19A1SIRT3 | |
| SCHEMBL30159419 | 0.76 | CYP17A1 (0.50) | CYP19A1SIRT3 | |
| SCHEMBL83185 | 0.76 | CYP17A1 (0.50) | CYP19A1SIRT3 | |
| SCHEMBL17233832 | 0.76 | CYP17A1 (0.50) | CYP19A1SIRT3 | |
| SCHEMBL2183673 | 0.76 | CTSK (0.50) | APPLRRK2 | |
| SCHEMBL8306897 | 0.76 | HCAR2 (0.39) | HCAR2LRRK2ARCYP19A1 | |
| Hydrochloric Acid SCHEMBL5349524 | 0.75 | CYP17A1 (0.49) | CYP19A1SIRT3 |
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-8431556-B2 | C-21-keto lupane derivatives preparation and use thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-30 | — | — | US | disclosed |
| US-20110077228-A1 | NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF | MOINET CHRISTOPHE | 2011-03-31 | — | — | 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-20110077228-A1 | NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF | CYP51A1, CYP17A1, HSD17B7 | EPHX1 2033/4885HCAR2 1165/4885APP 2344/4885 |
“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.