Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 12/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL1016798 | 0.83 | HPGDS (0.51) | MAPK14PDK2LMNAHPGDSHPGD | |
| SCHEMBL17205545 | 0.78 | PDK2 (0.50) | MAPK14PDK2HPGDS | |
| SCHEMBL17205599 | 0.73 | PDK2 (0.68) | MAPK14PDK2HPGDS | |
| SCHEMBL12706893 | 0.70 | BPTF (0.44) | ALDH1A1 | |
| SCHEMBL23387868 | 0.70 | PDK2 (0.43) | MAPK14PDK2HPGDSALDH1A1 | |
| Hydrochloric Acid SCHEMBL1020088 | 0.69 | BPTF (0.43) | ALDH1A1 | |
| SCHEMBL867848 | 0.69 | ABHD6 (0.48) | LMNAHTTALDH1A1HPGD | |
| SCHEMBL29249322 | 0.69 | PTGS1 (0.46) | LMNAHTTALDH1A1HPGD | |
| SCHEMBL2927334 | 0.68 | LMNA (0.63) | LMNAHTT | |
| SCHEMBL25305221 | 0.67 | PDK2 (0.46) | MAPK14PDK2HPGDS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1998620-A4 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1998620-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007106349-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-09-20 | — | — | WO | disclosed |