Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.61 |
| ▸ | CNR2 | P34972 | 7/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GRN | P28799 | 2/20 | 0.47 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28287977 | 1.00 | CNR1 (0.61) | CNR1CNR2TP53GRNSORT1 | |
| SCHEMBL28820674 | 0.86 | CNR2 (0.65) | CNR1CNR2GRNSORT1NPSR1 | |
| SCHEMBL28820677 | 0.86 | CNR2 (0.65) | CNR1CNR2GRNSORT1NPSR1 | |
| SCHEMBL28289402 | 0.85 | CNR1 (0.69) | CNR1CNR2GRNSORT1TRPV1 | |
| SCHEMBL28820579 | 0.85 | CNR1 (0.69) | CNR1CNR2GRNSORT1TRPV1 | |
| SCHEMBL28820597 | 0.85 | CNR1 (0.69) | CNR1CNR2GRNSORT1TRPV1 | |
| SCHEMBL28820582 | 0.83 | CNR1 (0.66) | CNR1CNR2GRNSORT1TRPV1 | |
| SCHEMBL28820610 | 0.82 | CNR1 (0.62) | CNR1CNR2GRNSORT1NPSR1 | |
| SCHEMBL28820552 | 0.82 | CNR1 (0.62) | CNR1CNR2GRNSORT1NPSR1 | |
| SCHEMBL28820568 | 0.82 | CNR1 (0.65) | CNR1CNR2GRNSORT1TRPV1 |
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 |