Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22084639 | 0.76 | ALDH1A1 (0.42) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL23511032 | 0.74 | ALDH1A1 (0.40) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL20469165 | 0.73 | ALDH1A1 (0.39) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL21012719 | 0.72 | ALDH1A1 (0.38) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL22084095 | 0.71 | ALDH1A1 (0.47) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL23912318 | 0.70 | ALDH1A1 (0.43) | ALDH1A1PARP10PARP3EPHX2NR1H4 | |
| SCHEMBL21003851 | 0.67 | ALDH1A1 (0.47) | ALDH1A1PARP10PARP3CYP2A6EPHX2 | |
| SCHEMBL22926330 | 0.67 | ALDH1A1 (0.42) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL394895 | 0.63 | ALDH1A1 (0.61) | ALDH1A1CYP2A6KDM4EPTGS2 | |
| SCHEMBL20469211 | 0.63 | ALDH1A1 (0.50) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |