Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL20644506 | 0.88 | ABCB11 (0.36) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20644563 | 0.78 | MAPT (0.37) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL25160279 | 0.78 | MAPT (0.37) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20644496 | 0.75 | MAPT (0.50) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20652848 | 0.75 | MAPT (0.50) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL25160125 | 0.70 | MAPT (0.37) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20644374 | 0.70 | — | — | |
| SCHEMBL20644439 | 0.70 | PRMT5 (0.37) | DGAT1 | |
| SCHEMBL23709213 | 0.69 | MAPT (0.51) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL25160033 | 0.69 | MAPT (0.51) | ABCB11CYP17A1CYP3A4CYP19A1CYP2C9 |
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-10464922-B2 | Metalloenzyme inhibitor compounds | NQP 1598, LTD. (US) | 2019-11-05 | — | — | US | disclosed |
| US-20190016700-A1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598, LTD. (KY) | 2019-01-17 | — | — | 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 (2 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-20190016700-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | ABCB11 1369/4885CYP17A1 649/4885CYP3A4 558/4885 |
| US-10464922-B2 | Metalloenzyme inhibitor compounds | MMEL1, GPX1, MPO | ABCB11 1369/4885CYP17A1 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.