Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 6/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL23531689 | 0.84 | PDE4D (0.43) | PDE4DADORA3ADORA2AADORA1ATM | |
| SCHEMBL20155016 | 0.80 | CNR2 (0.38) | PDE4D | |
| SCHEMBL20155042 | 0.80 | MAP4K4 (0.42) | PDE4DPTPN11ATMKDM4EPDE4B | |
| SCHEMBL20155687 | 0.79 | ATM (0.36) | MAT2APDE4DCOMTADORA3ADORA2A | |
| SCHEMBL20155108 | 0.79 | TGFBR1 (0.45) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL17873844 | 0.77 | ADORA2A (0.40) | MAT2AADORA3ADORA2AADORA1PTPN11 | |
| SCHEMBL12913813 | 0.76 | KMT2A (0.40) | NPC1RAB9ALMNAMAPTKDM4E | |
| SCHEMBL22216456 | 0.76 | ALDH1A1 (0.44) | MAT2AADORA3NPC1RAB9ACCNK | |
| SCHEMBL17221286 | 0.76 | GAA (0.52) | MAPTGAATSHR | |
| SCHEMBL20155606 | 0.76 | ATM (0.36) | PDE4DATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |