Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279860 | 0.82 | TRPA1 (0.36) | CYP3A4ALDH1A1HTTTRPA1LMNA | |
| SCHEMBL7478474 | 0.73 | GABRA1 (0.40) | CYP3A4ALDH1A1CYP2C19HTTLMNA | |
| SCHEMBL2592 | 0.72 | CES2 (0.43) | ALDH1A1TSHRTRPA1LMNASMN1; SMN2 | |
| SCHEMBL5839905 | 0.72 | HTR3E (0.39) | CYP3A4ALDH1A1TSHRCYP2C19TRPA1 | |
| SCHEMBL2229589 | 0.72 | MAPT (0.41) | CYP3A4ALDH1A1HTTTRPA1LMNA | |
| SCHEMBL7440604 | 0.72 | AKT1 (0.46) | CYP3A4ALDH1A1TSHRCYP2C19AKT1 | |
| SCHEMBL4302974 | 0.72 | HPGD (0.50) | ALDH1A1HTTLMNAHPGDGAA | |
| SCHEMBL9595339 | 0.72 | CYP3A4 (0.53) | CYP3A4ALDH1A1TSHRLMNAKDM4E | |
| SCHEMBL7162802 | 0.71 | NR4A2 (0.48) | ALDH1A1TSHRCYP2C19LMNAGAA | |
| SCHEMBL8010216 | 0.71 | CES1 (0.54) | CYP3A4ALDH1A1TSHRHTTLMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8067419-B2 | N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-29 | — | — | US | claimed |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-05-06 | — | — | US | claimed |
| US-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-09-25 | — | — | US | claimed |
| EP-1940814-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-07-09 | — | — | EP | claimed |
| WO-2007046075-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-04-26 | — | — | WO | claimed |
| US-8067419-B2 | N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-29 | — | — | US | disclosed |
| US-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-09-25 | — | — | US | disclosed |
| EP-1940814-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007046075-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-04-26 | — | — | 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 (2 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-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ITPA, PAK5, THPO | CYP3A4 722/4885ALDH1A1 1893/4885TSHR 4676/4885 |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | RELA, NFKBIA, NFE2 | CYP3A4 1664/4885ALDH1A1 366/4885TSHR 3471/4885 |
“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.