Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 9/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP1 | P63208 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3953517 | 1.00 | NPC1 (0.49) | NPC1RPS6KB1AKT1BTKCKS1B | |
| SCHEMBL3953520 | 1.00 | NPC1 (0.49) | NPC1RPS6KB1AKT1BTKCKS1B | |
| SCHEMBL14206763 | 0.87 | CKS1B (0.44) | RPS6KB1AKT1BTKCKS1BSKP1 | |
| SCHEMBL14206406 | 0.87 | CKS1B (0.44) | RPS6KB1AKT1BTKCKS1BSKP1 | |
| SCHEMBL14330893 | 0.83 | CKS1B (0.42) | BTKCKS1BSKP1SKP2PTPN1 | |
| SCHEMBL14330872 | 0.83 | CKS1B (0.42) | BTKCKS1BSKP1SKP2PTPN1 | |
| SCHEMBL14206405 | 0.81 | LMNA (0.53) | CKS1BSKP1SKP2GAAALDH1A1 | |
| SCHEMBL14206762 | 0.81 | LMNA (0.53) | CKS1BSKP1SKP2GAAALDH1A1 | |
| SCHEMBL2556561 | 0.78 | NPC1 (0.57) | NPC1RPS6KB1AKT1PTPN1GAA | |
| SCHEMBL11908438 | 0.73 | NPC1 (0.65) | NPC1GAAMEN1KMT2A |
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 | NPC1 2310/4885RPS6KB1 1790/4885AKT1 1220/4885 |
“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.