Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 7/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL28860238 | 0.82 | MET (0.47) | METPDE1APDE4CPDE4DPDE3B | |
| Quinoline SCHEMBL28220135 | 0.80 | MET (0.46) | METPDE1APDE4CPDE4DPDE3B | |
| SCHEMBL28220522 | 0.79 | CYP1A2 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12702782 | 0.75 | NPC1 (0.42) | PDE10AMAT2A | |
| SCHEMBL28219960 | 0.70 | NCF1 (0.44) | — | |
| SCHEMBL28219982 | 0.70 | NCF1 (0.44) | — | |
| SCHEMBL18713650 | 0.70 | SCN10A (0.42) | METHDAC4 | |
| SCHEMBL20675597 | 0.69 | — | — | |
| SCHEMBL18713526 | 0.68 | ALDH1A1 (0.33) | ADRA2AADRA2BADRA2CMAT2A | |
| SCHEMBL10389148 | 0.68 | ALDH1A1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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-108137547-A | It can be used as the heterocyclic compound of TNF α conditioning agent | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |