Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22992497 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HIF1AGAAALOX12HTT | |
| SCHEMBL22303927 | 0.80 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL18942465 | 0.79 | AKR1C3 (0.45) | ALDH1A1HDAC1HDAC6HTTPTGS1 | |
| SCHEMBL10266238 | 0.79 | CYP3A4 (0.43) | ALDH1A1HIF1AGAAALOX12HTT | |
| SCHEMBL4826032 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL27776659 | 0.78 | CA12 (0.40) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL27753244 | 0.78 | APP (0.41) | APPPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL10265137 | 0.77 | AKR1C3 (0.38) | AKR1C3AKR1C2FFAR4 | |
| SCHEMBL27624488 | 0.76 | SHBG (0.37) | SHBGHIF1APTGS1PTGS2MEN1 | |
| SCHEMBL21138713 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA4 |
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-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | 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-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | DTYMK, ITK, DCK | ALDH1A1 1469/4885CA12 4845/4885CA1 4732/4885 |
“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.