Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.52 |
| ▸ | AR | P10275 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CBR1 | P16152 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PLEC | Q15149 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28621577 | 0.92 | POLB (0.46) | AKR1C3ARMAPTTP53SLC2A1 | |
| SCHEMBL28641065 | 0.89 | TP53 (0.67) | MAPTTP53POLBBACE1ALDH1A1 | |
| SCHEMBL28625910 | 0.83 | CASP3 (0.51) | MAPTTP53MEN1POLBKMT2A | |
| SCHEMBL28625832 | 0.82 | ALDH1A1 (0.60) | MAPTTP53MEN1POLBKMT2A | |
| SCHEMBL28629444 | 0.78 | CASP3 (0.53) | AKR1B10AKR1B1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL28626506 | 0.78 | AKR1C3 (0.60) | AKR1C3ARMAPTTP53MAOA | |
| SCHEMBL28626495 | 0.76 | AKR1C3 (0.61) | AKR1C3ARMAPTTP53MAOA | |
| SCHEMBL3885678 | 0.72 | LMNA (0.58) | MAPTTP53MAOAMAOBKMT2A | |
| SCHEMBL3883462 | 0.71 | TP53 (0.49) | MAPTTP53MAOAMAOBBACE1 | |
| SCHEMBL3891829 | 0.71 | TP53 (0.49) | MAPTTP53MAOAMAOBBACE1 |
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-108715589-B | Coumarin derivative used as caspase-3 activator and application thereof | 华侨大学 | 2021-04-20 | — | — | CN | disclosed |