Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL21770156 | 0.81 | ALDH1A1 (0.57) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL19249747 | 0.81 | ALDH1A1 (0.44) | TRIM24TRIM33CA12CA1CA2 | |
| SCHEMBL23912277 | 0.77 | DRD1 (0.44) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL611088 | 0.77 | ALDH1A1 (0.58) | TRIM24TRIM33CYP2A6ALDH1A1CYP2A13 | |
| SCHEMBL1669178 | 0.76 | DRD1 (0.59) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL23912565 | 0.74 | DRD1 (0.44) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL5711166 | 0.74 | CYP2A6 (0.55) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL5916092 | 0.73 | TRIM24 (0.67) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL29936396 | 0.73 | ALDH1A1 (0.56) | DRD1TRIM24TRIM33CA12CA1 | |
| SCHEMBL29936157 | 0.73 | ALDH1A1 (0.56) | DRD1TRIM24TRIM33CA12CA1 |
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 2 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 |