Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 5/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | PDE6D | O43924 | 2/20 | 0.35 |
| ▸ | PDE6A | P16499 | 2/20 | 0.35 |
| ▸ | PDE6G | P18545 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE6B | P35913 | 2/20 | 0.35 |
| ▸ | PDE6C | P51160 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | PDE6H | Q13956 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21395888 | 0.78 | PDE2A (0.39) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL28564879 | 0.76 | PDE2A (0.39) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL21395394 | 0.76 | CYP3A4 (0.57) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL28555921 | 0.73 | PDE2A (0.36) | PDE2APDE10AF2RL3PDE6DPDE6A | |
| SCHEMBL28544226 | 0.70 | ALDH1A1 (0.33) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL20305347 | 0.68 | F2RL3 (0.44) | F2RL3MAPTALDH1A1TDP1PKM | |
| SCHEMBL8510596 | 0.66 | F2RL3 (0.41) | F2RL3PPARAMAPTALDH1A1PKM | |
| SCHEMBL21228029 | 0.66 | PDE2A (0.35) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL4869817 | 0.64 | APP (0.63) | F2RL3AHRPKMRAB9A | |
| SCHEMBL8333567 | 0.64 | SMN1; SMN2 (0.45) | F2RL3MAPTALDH1A1TDP1PKM |
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-107556266-B | 2-mercapto-4-substituted-6-fluorobenzothiazole and preparation method and application thereof | 华南农业大学 | 2021-04-23 | — | — | CN | disclosed |