Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.33 |
| ▸ | ABAT | P80404 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 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 | |
|---|---|---|---|---|
| SCHEMBL15990409 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP2A6PARP10PARP3ALDH5A1 | |
| SCHEMBL20469211 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2A6PARP10PARP3CYP2A13 | |
| SCHEMBL16475654 | 0.72 | ALDH1A1 (0.62) | ALDH1A1CYP2A6PARP10PARP3CYP2A13 | |
| SCHEMBL28139530 | 0.68 | ALDH1A1 (0.61) | ALDH1A1CYP2A6PARP10PARP3ALDH5A1 | |
| SCHEMBL28033399 | 0.66 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPTTSHR | |
| SCHEMBL79533 | 0.66 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPTTSHR | |
| SCHEMBL30414504 | 0.66 | PARP10 (0.57) | ALDH1A1CYP2A6PARP10PARP3HPGD | |
| SCHEMBL47357 | 0.66 | CYP2A6 (0.54) | ALDH1A1CYP2A6PARP10PARP3CYP2A13 | |
| SCHEMBL28435221 | 0.64 | ALDH1A1 (0.66) | ALDH1A1CYP2A6PARP10PARP3ALDH5A1 | |
| SCHEMBL22084639 | 0.64 | ALDH1A1 (0.42) | ALDH1A1CYP2A6PARP10PARP3CYP2A13 |
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 |