Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | DRD5 | P21918 | 1/20 | 0.57 |
| ▸ | GPX4 | P36969 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL969021 | 0.91 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDGPX4HTR1A | |
| SCHEMBL968675 | 0.89 | HTR1A (0.66) | ALDH1A1KDM4EHPGDGPX4HTR1A | |
| SCHEMBL967406 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL967361 | 0.88 | ALDH1A1 (0.63) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL969099 | 0.88 | ALDH1A1 (0.69) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL967323 | 0.87 | ALDH1A1 (0.71) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL969372 | 0.86 | KDM4E (0.67) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL968991 | 0.86 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL970364 | 0.86 | HTR1A (0.61) | ALDH1A1KDM4EHPGDDRD2GPX4 | |
| SCHEMBL968842 | 0.85 | KDM4E (0.69) | ALDH1A1KDM4EHPGDDRD2GPX4 |
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 7 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 | claimed |
| EP-2162451-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2010-03-17 | — | — | EP | claimed |
| WO-2009003003-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2008-12-31 | — | — | WO | claimed |
| 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 | ALDH1A1 812/4885KDM4E 3037/4885HPGD 606/4885 |
“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.