Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | CDK4 | P11802 | 3/20 | 0.40 |
| ▸ | CCND1 | P24385 | 3/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TFEB | P19484 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL5462063 | 0.96 | XDH (0.41) | XDHCYP1A1CYP1B1CYP1A2CDK4 | |
| SCHEMBL18570324 | 0.85 | CDK4 (0.50) | XDHCYP1A1CYP1B1CYP1A2CDK4 | |
| SCHEMBL746936 | 0.81 | ABCG2 (0.57) | XDHCYP1A1CYP1B1CYP1A2NFE2L2 | |
| SCHEMBL7198703 | 0.81 | ABCG2 (0.57) | XDHCYP1A1CYP1B1CYP1A2NFE2L2 | |
| SCHEMBL29953692 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL851964 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL23957930 | 0.79 | CYP3A4 (0.50) | CYP1A1CYP1B1CYP1A2NFE2L2ABCG2 | |
| SCHEMBL10917406 | 0.78 | ALDH1A1 (0.46) | NFE2L2ABCG2ALDH1A1MEN1MAPT | |
| SCHEMBL10917402 | 0.78 | ALDH1A1 (0.46) | NFE2L2ABCG2ALDH1A1MEN1MAPT | |
| SCHEMBL13807149 | 0.78 | ACHE (0.50) | XDHCYP1A1CYP1B1CYP1A2NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070249616-A1 | Substituted 1-Benzyl-4-Substituted Piperazine Analogues | NEUROGEN CORPORATION (US) | 2007-10-25 | — | — | US | disclosed |
| US-7253168-B2 | Substituted 1-benzyl-4-substituted piperazine analogues | NEUROGEN CORPORATION (US) | 2007-08-07 | — | — | US | disclosed |
| US-20060142301-A1 | Substituted 1-benzyl-4-substituted piperazine analogues | NEUROGEN CORPORATION | 2006-06-29 | — | — | US | disclosed |
| US-20060009456-A1 | Aryl-substituted piperazine derivatives | NEUROGEN CORPORATION | 2006-01-12 | — | — | US | 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 (3 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-20070249616-A1 | Substituted 1-Benzyl-4-Substituted Piperazine Analogues | MCHR1, MCHR2, PRLHR | XDH 2773/4885CYP1A1 356/4885CYP1B1 198/4885 |
| US-20060009456-A1 | Aryl-substituted piperazine derivatives | MCHR1, MCHR2, PRLHR | XDH 2168/4885CYP1A1 461/4885CYP1B1 486/4885 |
| US-20060142301-A1 | Substituted 1-benzyl-4-substituted piperazine analogues | MCHR1, MCHR2, PRLHR | XDH 2773/4885CYP1A1 356/4885CYP1B1 198/4885 |
“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.