Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23912321 | 0.76 | ALDH1A1 (0.41) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL23511032 | 0.75 | ALDH1A1 (0.40) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL20469165 | 0.74 | ALDH1A1 (0.39) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL21012719 | 0.73 | ALDH1A1 (0.38) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL22084095 | 0.72 | ALDH1A1 (0.47) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL23912318 | 0.71 | ALDH1A1 (0.43) | ALDH1A1PARP10PARP3ADRB2ADRB1 | |
| SCHEMBL21003851 | 0.68 | ALDH1A1 (0.47) | ALDH1A1PARP10PARP3CYP2A6EPHX2 | |
| SCHEMBL22926330 | 0.68 | ALDH1A1 (0.42) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL20469211 | 0.67 | ALDH1A1 (0.50) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL21983828 | 0.65 | TGM2 (0.37) | ALDH1A1KDM4E |
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-3892278-B1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2024-02-28 | — | — | EP | disclosed |
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020116662-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | 第一三共株式会社 | 2020-06-11 | — | — | WO | disclosed |