Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 4/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639902 | 0.87 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL7289940 | 0.81 | CYP3A4 (0.59) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL2593530 | 0.80 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL8321419 | 0.79 | GAA (0.53) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL11562840 | 0.75 | ALDH1A1 (0.45) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL11440207 | 0.75 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL11049030 | 0.75 | CD44 (0.44) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL3319242 | 0.75 | HSD17B10 (0.59) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL10944944 | 0.73 | CYP3A4 (0.54) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL31168323 | 0.71 | CYP3A4 (0.39) | CYP3A4ALDH1A1TSHRHPGDHSD17B10 |
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-11772085-B2 | Far superior oxidation catalysts based on macrocyclic compounds | CARNEGIE MELLON UNIVERSITY (US) | 2023-10-03 | — | — | US | disclosed |
| EP-4015511-A1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2022-06-22 | — | — | EP | 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-11772085-B2 | Far superior oxidation catalysts based on macrocyclic compounds | SOD1, ME3, ME2 | CYP3A4 831/4885ALDH1A1 1499/4885TSHR 1480/4885 |
“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.