Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30015936 | 1.00 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DFAAH | |
| SCHEMBL21178715 | 0.89 | PDE4B (0.41) | PDE4APDE4BPDE4CPDE4DFAAH | |
| SCHEMBL26309876 | 0.77 | ALDH1A1 (0.41) | LMNAKDM4EMAPTTSHRKMT2A | |
| SCHEMBL26309878 | 0.77 | ALDH1A1 (0.41) | LMNAKDM4EMAPTTSHRKMT2A | |
| SCHEMBL24698046 | 0.75 | ERN1 (0.39) | KMT2AHTR2B | |
| SCHEMBL21178394 | 0.75 | ERN1 (0.39) | KMT2AHTR2B | |
| SCHEMBL29134323 | 0.75 | MALT1 (0.36) | FAAHCNR2XIAPMAPTMTNR1A | |
| SCHEMBL19961243 | 0.74 | PDE4B (0.41) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19948761 | 0.73 | PDE10A (0.41) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL21178823 | 0.72 | HTR1A (0.39) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |