Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.39 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.39 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4999513 | 1.00 | MTNR1A (0.44) | MTNR1AMTNR1BALDH1A1TP53CYP1A2 | |
| SCHEMBL7286562 | 0.90 | ALDH1A1 (0.44) | MTNR1AMTNR1BALDH1A1TP53CYP1A2 | |
| SCHEMBL1760643 | 0.90 | ALDH1A1 (0.44) | MTNR1AMTNR1BALDH1A1TP53CYP1A2 | |
| SCHEMBL5567814 | 0.90 | ALDH1A1 (0.44) | MTNR1AMTNR1BALDH1A1TP53CYP1A2 | |
| SCHEMBL3241271 | 0.86 | GAA (0.57) | MTNR1AMTNR1BALDH1A1TP53CYP1A2 | |
| SCHEMBL1321069 | 0.86 | ALOX15 (0.44) | ALDH1A1HPGDSMN1; SMN2GAAMAPT | |
| SCHEMBL22236663 | 0.83 | GAA (0.41) | ALDH1A1CYP1A2HPGDHSD17B10GAA | |
| SCHEMBL21100997 | 0.82 | GAA (0.41) | ALDH1A1CYP1A2HPGDHSD17B10GAA | |
| SCHEMBL27829321 | 0.82 | GAA (0.41) | ACHEGAAMAPT | |
| SCHEMBL5917429 | 0.82 | PDE5A (0.44) | GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109180681-B | DNA toxic dimer compound | 四川百利药业有限责任公司 | 2021-08-20 | — | — | CN | disclosed |