Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KHK | P50053 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5745220 | 0.80 | BRPF1 (0.47) | ALDH1A1LMNABRPF1BRD4KHK | |
| SCHEMBL21268764 | 0.80 | ADRB1 (0.61) | ALDH1A1LMNAKHKHTR2CMAPT | |
| SCHEMBL21268746 | 0.80 | ADRB1 (0.61) | ALDH1A1LMNAKHKHTR2CMAPT | |
| SCHEMBL21281577 | 0.80 | ADRB1 (0.61) | ALDH1A1LMNAKHKHTR2CMAPT | |
| SCHEMBL13039966 | 0.79 | HTR7 (0.61) | ALDH1A1LMNAKHKHTR2CBIRC2 | |
| SCHEMBL15533224 | 0.79 | ALDH1A1 (0.45) | ALDH1A1LMNABRPF1BRD4KHK | |
| SCHEMBL5268435 | 0.79 | NOTUM (0.48) | ALDH1A1LMNAKHKHTR2C | |
| SCHEMBL547368 | 0.79 | MEN1 (0.56) | ALDH1A1LMNABRPF1BRD4KHK | |
| SCHEMBL2249111 | 0.79 | NOTUM (0.48) | ALDH1A1LMNAKHKHTR2C | |
| SCHEMBL2246683 | 0.79 | NOTUM (0.48) | ALDH1A1LMNAKHKHTR2C |
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 |