Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | HTR7 | P34969 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11091442 | 0.94 | ABCB1 (0.50) | ADRA2AADRA2BADRA2CADRA1BHTR7 | |
| SCHEMBL11107336 | 0.92 | ADRA2A (0.66) | ADRA2AADRA2BADRA2CADRA1BDRD2 | |
| SCHEMBL11105049 | 0.88 | DRD2 (0.59) | ADRA2AADRA2BADRA2CDRD2MEN1 | |
| SCHEMBL11105320 | 0.86 | KMT2A (0.66) | HTR1ADRD2MEN1GAAKMT2A | |
| SCHEMBL11112226 | 0.81 | KMT2A (0.71) | MAPTHTR7KMT2A | |
| SCHEMBL11103180 | 0.81 | KDM4E (0.61) | ADRA1BHTR1ADRD2MEN1KMT2A | |
| SCHEMBL11110078 | 0.79 | MAPT (0.61) | ADRA2AADRA2BADRA2CMAPTHTR1A | |
| SCHEMBL11104836 | 0.79 | ALDH1A1 (0.47) | MAPTHTR1ADRD2GAA | |
| SCHEMBL11091447 | 0.79 | SLC18A3 (0.51) | HTR1ADRD2HTR7 | |
| SCHEMBL11105643 | 0.79 | KMT2A (0.64) | MAPTHTR7MEN1KMT2A |
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-0034894-B1 | 2-(1-PIPERAZINYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES USED IN THE PROCESSES AND THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES | AYERST, MCKENNA AND HARRISON INC. (CA) | 1984-09-12 | — | — | EP | disclosed |
| US-4469694-A | 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives | AYERST, MCKENNA & HARRISON INC. (CA) | 1984-09-04 | — | — | US | disclosed |
| EP-0034894-A2 | 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives | AYERST, MCKENNA AND HARRISON INC. (CA) | 1981-09-02 | — | — | EP | disclosed |