Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | RRM1 | P23921 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160907 | 0.85 | P2RX7 (0.56) | SIGMAR1 | |
| SCHEMBL6171285 | 0.81 | GAA (0.63) | — | |
| SCHEMBL9706442 | 0.76 | ALDH1A1 (0.57) | ALDH1A1POLBCYP2D6RRM1CYP1A2 | |
| SCHEMBL9468186 | 0.74 | P2RX7 (0.53) | SIGMAR1 | |
| SCHEMBL6163189 | 0.72 | HTR2C (0.57) | SIGMAR1 | |
| SCHEMBL27909369 | 0.72 | ALDH1A1 (0.55) | ALDH1A1POLBCYP2D6RRM1CYP1A2 | |
| SCHEMBL6164191 | 0.72 | HTR1A (0.57) | — | |
| SCHEMBL3204729 | 0.72 | SIGMAR1 (0.45) | SIGMAR1CYP2D6 | |
| SCHEMBL27909447 | 0.71 | ALDH1A1 (0.72) | ALDH1A1POLBCYP2D6RRM1CYP1A2 | |
| SCHEMBL28804531 | 0.70 | CACNA1G (0.67) | ALDH1A1POLBCYP2D6CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1060163-B1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE CO CHEM PHARM FAB (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-6903118-B1 | Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides | KLINGE PHARMA GMBH (DE) | 2005-06-07 | — | — | US | disclosed |
| EP-1060163-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | Klinge Pharma GmbH (DE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999031063-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |