Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL970345 | 0.98 | HRH3 (0.41) | PARP1HRH3L3MBTL3L3MBTL1CYP17A1 | |
| SCHEMBL968741 | 0.93 | PARP1 (0.40) | PARP1HRH3L3MBTL3L3MBTL1HTT | |
| SCHEMBL967991 | 0.91 | PARP1 (0.40) | PARP1HRH3L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL969746 | 0.86 | HRH3 (0.41) | PARP1HRH3CYP17A1CYP3A4 | |
| SCHEMBL967713 | 0.83 | HRH3 (0.48) | PARP1HRH3L3MBTL3L3MBTL1KDM4E | |
| SCHEMBL967364 | 0.81 | PARP1 (0.52) | PARP1HRH3HTTNPSR1KDM4E | |
| SCHEMBL967970 | 0.79 | PARP1 (0.40) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1017100 | 0.78 | HRH3 (0.54) | HRH3L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL1016369 | 0.78 | HRH3 (0.54) | HRH3L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL968653 | 0.78 | HDAC1 (0.48) | PARP1HRH3L3MBTL3L3MBTL1 |
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-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2009003003-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2008-12-31 | — | — | 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-20110002855-A1 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | PARP1 2898/4885HRH3 1/4885L3MBTL3 2178/4885 |
“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.