Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455282 | 0.85 | ADORA3 (0.49) | ADORA3ADORA2AHDAC1HDAC2KDM4E | |
| SCHEMBL3999180 | 0.85 | PARP1 (0.48) | ADORA3ADORA2AHDAC1HDAC2KDM4E | |
| SCHEMBL2887260 | 0.84 | HDAC1 (0.57) | ADORA3ADORA2AHDAC1HDAC2KDM4E | |
| SCHEMBL14312644 | 0.84 | ADORA3 (0.48) | ADORA3KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL4454941 | 0.83 | HDAC1 (0.58) | HDAC1HDAC2KDM4EMAPTKMT2A | |
| SCHEMBL8241599 | 0.82 | GRM5 (0.42) | ADORA3ADORA2AHDAC1HDAC2KEAP1 | |
| SCHEMBL14312276 | 0.82 | ADORA1 (0.50) | ADORA3ADORA2AHDAC1HDAC2KDM4E | |
| SCHEMBL14312436 | 0.79 | KDM4E (0.46) | HDAC1HDAC2KDM4EMAPTKMT2A | |
| SCHEMBL14312439 | 0.76 | LMNA (0.49) | ADORA3ADORA2AHDAC1HDAC2KDM4E | |
| SCHEMBL14312424 | 0.76 | HDAC1 (0.41) | ADORA3ADORA2AHDAC1HDAC2KDM4E |
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 4 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 |
| EP-1945617-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | 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 | ADORA3 4119/4885ADORA2A 4371/4885HDAC1 1/4885 |
“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.