Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1988552 | 0.76 | TSHR (0.49) | ALDH1A1POLBTSHRHSD11B1CYP19A1 | |
| SCHEMBL3345446 | 0.75 | DRD2 (0.58) | ALDH1A1TSHRDRD2DRD4DRD3 | |
| SCHEMBL14958565 | 0.72 | ALDH1A1 (0.47) | ALDH1A1POLBTSHRHSD11B1DRD2 | |
| SCHEMBL11231861 | 0.71 | TSHR (0.47) | ALDH1A1POLBTSHRDRD2DRD4 | |
| SCHEMBL22121179 | 0.71 | TSHR (0.56) | ALDH1A1TSHRCA1CA2CA9 | |
| Ethylene Glycol SCHEMBL28236042 | 0.71 | TSHR (0.71) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL12982916 | 0.71 | TSHR (0.50) | ALDH1A1POLBTSHRHSD11B1CYP19A1 | |
| SCHEMBL5520486 | 0.70 | HRH3 (0.57) | ALDH1A1DRD2DRD4DRD3MEN1 | |
| SCHEMBL1985446 | 0.70 | MEN1 (0.48) | ALDH1A1POLBTSHRHSD11B1CYP19A1 | |
| SCHEMBL4404511 | 0.69 | TSHR (0.49) | ALDH1A1POLBTSHRHSD11B1CYP19A1 |
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-20100099683-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-04-22 | — | — | 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-20100099683-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | LIG1, LIG4, LIG3 | ALDH1A1 2436/4885POLB 17/4885TSHR 4461/4885 |
“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.