Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22926330 | 0.94 | ALDH1A1 (0.42) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL24213539 | 0.77 | PLAU (0.44) | ALDH1A1PARP10HSD17B10HPGD | |
| SCHEMBL14538523 | 0.75 | ALDH1A1 (0.40) | ALDH1A1HPGD | |
| SCHEMBL18962609 | 0.75 | LMNA (0.45) | ALDH1A1KDM4ECYP2A6CYP2C19 | |
| SCHEMBL24196737 | 0.75 | IRAK4 (0.30) | — | |
| SCHEMBL16923685 | 0.75 | TPMT (0.38) | — | |
| SCHEMBL20644765 | 0.75 | CES2 (0.39) | ALDH1A1CYP2A6RAB9A | |
| SCHEMBL22084639 | 0.72 | ALDH1A1 (0.42) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL20469165 | 0.72 | ALDH1A1 (0.39) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL14971531 | 0.72 | ERN1 (0.36) | — |
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 |