Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8237752 | 0.81 | ADORA1 (0.41) | ADORA1ADORA3NPSR1GAAALDH1A1 | |
| SCHEMBL2887260 | 0.81 | HDAC1 (0.57) | ADORA1HDAC1HDAC2ADORA3TP53 | |
| SCHEMBL4454941 | 0.77 | HDAC1 (0.58) | HDAC1HDAC2TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL4454512 | 0.76 | ADORA3 (0.48) | HDAC1HDAC2ADORA3MAPK14NOTUM | |
| SCHEMBL3737262 | 0.75 | ADORA1 (0.55) | ADORA1ADORA3MAPK14NOTUMALDH1A1 | |
| SCHEMBL14312436 | 0.73 | KDM4E (0.46) | HDAC1HDAC2MAPK14NOTUMNPSR1 | |
| SCHEMBL14312439 | 0.72 | LMNA (0.49) | ADORA1HDAC1HDAC2ADORA3ALDH1A1 | |
| SCHEMBL4456587 | 0.71 | KDM4E (0.48) | HDAC1HDAC2ADORA3GAAALDH1A1 | |
| SCHEMBL4455282 | 0.71 | ADORA3 (0.49) | ADORA1HDAC1HDAC2ADORA3MAPK14 | |
| SCHEMBL3999180 | 0.71 | PARP1 (0.48) | HDAC1HDAC2ADORA3NOTUMGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945617-B1 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK SHARP & DOHME (US) | 2012-12-26 | — | — | EP | disclosed |
| US-20090291965-A1 | Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs | MERCK SHARP & DOHME LLC | 2009-11-26 | — | — | 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-20090291965-A1 | Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs | HDAC1, HDAC3, HDAC5 | ADORA1 4380/4885HDAC1 1/4885HDAC2 5/4885 |
“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.