Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL64687 | 0.98 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC6CES2 | |
| SCHEMBL7018973 | 0.85 | HDAC3 (0.73) | HDAC3HDAC4HDAC1HDAC6HPGD | |
| SCHEMBL1164276 | 0.81 | CES2 (0.60) | HDAC3HDAC4HDAC1HDAC6CES2 | |
| SCHEMBL2659566 | 0.79 | HDAC3 (0.62) | HDAC3HDAC4HDAC1HDAC6DAO | |
| SCHEMBL28383825 | 0.79 | CES2 (0.52) | HDAC3HDAC4HDAC1HDAC6CES2 | |
| SCHEMBL19224033 | 0.78 | CES2 (0.47) | HDAC3HDAC4HDAC1HDAC6CES2 | |
| SCHEMBL490430 | 0.78 | GSK3B (0.54) | CES2CES1GSK3BDAOHPGD | |
| SCHEMBL2279695 | 0.78 | CES2 (0.45) | HDAC3HDAC4HDAC1HDAC6CES2 | |
| SCHEMBL7640681 | 0.78 | HDAC3 (0.60) | HDAC3HDAC4HDAC1HDAC6HPGD | |
| SCHEMBL5068414 | 0.78 | HDAC3 (0.65) | HDAC3HDAC4HDAC1HDAC6DAO |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| EP-2078003-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008054702-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-05-08 | — | — | 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-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | HDAC3 1104/4885HDAC4 751/4885HDAC1 280/4885 |
“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.