Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TMPRSS15 | P98073 | 4/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2439181 | 0.85 | CDC7 (0.49) | ALDH1A1KDM4ETMPRSS15NPC1MAPT | |
| SCHEMBL31482107 | 0.76 | MLYCD (0.44) | ALDH1A1KDM4ETMPRSS15AGTR1AGTR2 | |
| SCHEMBL25410152 | 0.75 | TMPRSS15 (0.59) | TMPRSS15HCAR2 | |
| SCHEMBL17607366 | 0.75 | HCAR2 (0.47) | ALDH1A1KDM4ETMPRSS15AGTR1AGTR2 | |
| SCHEMBL15530378 | 0.74 | KDM4E (0.48) | ALDH1A1KDM4ETMPRSS15AGTR1AGTR2 | |
| SCHEMBL25408977 | 0.74 | TMPRSS15 (0.60) | ALDH1A1TMPRSS15HCAR2RAB9A | |
| SCHEMBL24853458 | 0.73 | HCAR2 (0.57) | ALDH1A1KDM4ETMPRSS15AGTR1AGTR2 | |
| SCHEMBL17967192 | 0.73 | DAO (0.50) | ALDH1A1KDM4EHCAR2DAONPC1 | |
| SCHEMBL7832601 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4EHDAC3HDAC4HDAC6 | |
| SCHEMBL11566151 | 0.70 | HCAR3 (0.69) | PKMRPS6KB1AKT1TAAR1AOC3 |
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 8 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-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20090291965-A1 | Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs | MERCK SHARP & DOHME LLC | 2009-11-26 | — | — | US | disclosed |
| US-20090291965-A1 | Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs | MERCK SHARP & DOHME LLC | 2009-11-26 | — | — | US | disclosed |
| US-20090291965-A1 | Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs | MERCK SHARP & DOHME LLC | 2009-11-26 | — | — | US | 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 | ALDH1A1 540/4885KDM4E 97/4885PKM 1570/4885 |
“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.