Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4561265 | 1.00 | HRH3 (0.40) | HRH3CYP17A1CYP3A4IKBKBACACB | |
| SCHEMBL4537167 | 0.85 | CYP17A1 (0.45) | CYP17A1CYP3A4PDE3BPDE3A | |
| SCHEMBL6116398 | 0.83 | CYP17A1 (0.40) | CYP17A1CYP3A4KCNH2PDE10A | |
| SCHEMBL5020170 | 0.80 | CYP17A1 (0.52) | CYP17A1CYP3A4ACACB | |
| SCHEMBL5020156 | 0.79 | AKR1C3 (0.32) | CYP17A1CYP3A4 | |
| SCHEMBL5020130 | 0.76 | CYP3A4 (0.34) | CYP17A1CYP3A4 | |
| SCHEMBL4562411 | 0.76 | AR (0.34) | CYP17A1CYP3A4 | |
| SCHEMBL8745752 | 0.73 | AR (0.30) | CYP17A1CYP3A4 | |
| SCHEMBL4560966 | 0.73 | CYP3A4 (0.47) | CYP17A1CYP3A4 | |
| SCHEMBL4561954 | 0.73 | HRH3 (0.39) | HRH3IKBKBACACBPDE3BPDE3A |
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-20170143694-A1 | METALLOENZYME INHIBITOR COMPOUNDS | INNOCRIN PHARMACEUTICALS, INC. | 2017-05-25 | — | — | 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-20170143694-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | HRH3 4559/4885CYP17A1 649/4885CYP3A4 558/4885 |
“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.