Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4873274 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3844533 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL6022700 | 0.80 | MEN1 (0.60) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL11110708 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP2C19CYP3A4CYP1A2 | |
| SCHEMBL5564330 | 0.78 | PDE4B (0.55) | ALDH1A1MAPTCYP2C19CYP3A4CYP1A2 | |
| SCHEMBL8810360 | 0.78 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP2C19POLBKMT2A | |
| Hydrochloric Acid SCHEMBL9621229 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPTCYP2C19POLBKMT2A | |
| SCHEMBL7266659 | 0.76 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP2C19CYP3A4CYP1A2 | |
| SCHEMBL2616165 | 0.76 | MEN1 (0.69) | ALDH1A1CYP2D6MEN1KMT2AKDM4E | |
| SCHEMBL10107608 | 0.76 | CHRM3 (0.52) | ALDH1A1MAPTCYP2C19POLBKMT2A |
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-4469695-A | 2-(4-Hydroxyalkyl-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 |