Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL969780 | 0.86 | PARP1 (0.51) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL968526 | 0.85 | PARP1 (0.52) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL969260 | 0.83 | PARP1 (0.52) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL969771 | 0.82 | PARP1 (0.52) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL967154 | 0.82 | PARP1 (0.52) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL968633 | 0.81 | PARP1 (0.48) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL970324 | 0.81 | ALDH1A1 (0.64) | PARP1KDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL969791 | 0.81 | PARP1 (0.43) | PARP1KDM4EALDH1A1HRH3KCNH2 | |
| SCHEMBL968881 | 0.80 | PARP1 (0.46) | PARP1KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL969089 | 0.80 | PARP1 (0.65) | PARP1KDM4EALDH1A1HPGDCASP1 |
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 2898/4885KDM4E 3037/4885ALDH1A1 812/4885 |
“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.