Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 8/20 | 0.40 |
| ▸ | CNR2 | P34972 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820611 | 0.83 | KDM4E (0.43) | CNR1CNR2SMPD1HDAC3HDAC4 | |
| SCHEMBL28820665 | 0.79 | CNR1 (0.49) | CNR1CNR2SMPD1HDAC3HDAC4 | |
| SCHEMBL28820570 | 0.78 | CNR1 (0.44) | CNR1CNR2PDE10A | |
| SCHEMBL28820582 | 0.77 | CNR1 (0.66) | CNR1CNR2 | |
| SCHEMBL26890645 | 0.77 | BAZ2B (0.47) | CYP2D6 | |
| SCHEMBL28820576 | 0.76 | CNR1 (0.65) | CNR1CNR2 | |
| SCHEMBL28820568 | 0.76 | CNR1 (0.65) | CNR1CNR2 | |
| SCHEMBL28820596 | 0.76 | CNR1 (0.65) | CNR1CNR2 | |
| SCHEMBL28820567 | 0.76 | CNR1 (0.53) | CNR1CNR2LMNAL3MBTL1 | |
| SCHEMBL28820601 | 0.75 | CNR1 (0.46) | CNR1CNR2LMNAPDE10ATYK2 |
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-109516955-B | Nitrogen-containing five-membered aromatic heterocyclic compound and preparation method and application thereof | 华东师范大学 | 2022-07-26 | — | — | CN | disclosed |