Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.31 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27035682 | 0.79 | CYP19A1 (0.57) | CYP19A1 | |
| SCHEMBL27229513 | 0.79 | GRIN1 (0.49) | CYP19A1PTGER3ALDH1A1GRIN1GRIN2A | |
| SCHEMBL22147812 | 0.79 | GRIN1 (0.49) | CYP19A1PTGER3ALDH1A1GRIN1GRIN2A | |
| SCHEMBL23516613 | 0.73 | TYR (0.44) | CYP2A6ALDH1A1TYRCYP2A13ALDH1A3 | |
| SCHEMBL20914690 | 0.72 | LPL (0.41) | CYP19A1 | |
| SCHEMBL5177793 | 0.70 | CYP2A6 (0.46) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL21848155 | 0.70 | GRIN1 (0.40) | CYP19A1PTGER3GRIN1GRIN2AGRIN2B | |
| SCHEMBL30683300 | 0.70 | CYP19A1 (0.37) | CYP19A1PTGER3GRIN1GRIN2AGRIN2B | |
| SCHEMBL27035700 | 0.70 | CYP19A1 (0.37) | CYP19A1PTGER3GRIN1GRIN2AGRIN2B | |
| SCHEMBL2308698 | 0.69 | GRIN1 (0.53) | PTGER3GRIN1GRIN2AGRIN2B |
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-8168658-B2 | Inhibitors of histone deacetylase | MERCK SHARP & DOHME CORP. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20090069250-A1 | Inhibitors of Histone Deacetylase | MERCK SHARP & DOHME LLC | 2009-03-12 | — | — | 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-20090069250-A1 | Inhibitors of Histone Deacetylase | HDAC1, HDAC5, HDAC6 | CYP19A1 2145/4885CYP2A6 3249/4885PTGER3 2180/4885 |
“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.