Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 15/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
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 | 0.97 | MET (0.47) | METALDH1A1PDE1APDE4CPDE4D | |
| SCHEMBL28219978 | 0.80 | MET (0.35) | METPDE1APDE4CPDE4DPDE3B | |
| Quinoline SCHEMBL28241576 | 0.79 | ALDH1A1 (0.59) | METALDH1A1AKR1C3AKR1C2NPC1 | |
| SCHEMBL28220522 | 0.78 | CYP1A2 (0.44) | NPC1POLBRAB9AKDM4EMAPT | |
| SCHEMBL28219977 | 0.77 | MET (0.41) | METNPC1KDM4ETP53MAPT | |
| SCHEMBL28219960 | 0.75 | NCF1 (0.44) | SRCKDRHSP90AA1HSP90AB1MAPT | |
| SCHEMBL28219982 | 0.75 | NCF1 (0.44) | SRCKDRHSP90AA1HSP90AB1MAPT | |
| SCHEMBL30606840 | 0.75 | ALDH1A1 (0.55) | METALDH1A1PDE1APDE4CPDE4D | |
| SCHEMBL14322835 | 0.74 | NPC1 (0.57) | METALDH1A1PDE1APDE4CPDE4D | |
| SCHEMBL112749 | 0.74 | ALDH1A1 (0.58) | METALDH1A1AKR1C3AKR1C2NPC1 |
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 |