Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL968575 | 0.82 | SIGMAR1 (0.38) | KDM4EALDH1A1HRH3SIGMAR1HTT | |
| SCHEMBL970851 | 0.79 | SIGMAR1 (0.46) | KDM4EALDH1A1HRH3SIGMAR1HTT | |
| SCHEMBL1017235 | 0.78 | HSP90AB1 (0.47) | KDM4EALDH1A1HRH3ADRA1A | |
| SCHEMBL967219 | 0.77 | SIGMAR1 (0.47) | KDM4EALDH1A1HRH3SIGMAR1 | |
| SCHEMBL968574 | 0.77 | SIGMAR1 (0.47) | KDM4EALDH1A1HRH3SIGMAR1HTT | |
| SCHEMBL1014897 | 0.76 | HSP90AB1 (0.47) | KDM4EALDH1A1PIK3CAADRA1A | |
| SCHEMBL970389 | 0.76 | SIGMAR1 (0.41) | KDM4EALDH1A1HRH3SIGMAR1HTT | |
| SCHEMBL971655 | 0.75 | SIGMAR1 (0.47) | KDM4EALDH1A1HRH3SIGMAR1 | |
| SCHEMBL967841 | 0.74 | KDM4E (0.39) | KDM4EALDH1A1HRH3PIK3CAADRA1A | |
| SCHEMBL1017526 | 0.73 | ADRA1A (0.38) | KDM4EALDH1A1HRH3PIK3CAADRA1A |
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 | KDM4E 3037/4885ALDH1A1 812/4885HRH3 1/4885 |
“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.