Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 | P31391 | 14/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SSTR1 | P30872 | 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 | |
|---|---|---|---|---|
| SCHEMBL29455209 | 0.88 | ALDH1A1 (0.37) | MC4RALDH1A1SMN1; SMN2LMNAPOLB | |
| SCHEMBL29455217 | 0.79 | SSTR4 (0.44) | SSTR4SMN1; SMN2MCHR1 | |
| SCHEMBL29455220 | 0.75 | ENPP2 (0.52) | — | |
| SCHEMBL28912973 | 0.75 | ENPP2 (0.52) | — | |
| SCHEMBL29455198 | 0.74 | TACR1 (0.40) | SSTR4SMN1; SMN2 | |
| SCHEMBL5545932 | 0.72 | THRB (0.35) | MAPK1 | |
| SCHEMBL25155872 | 0.70 | MC4R (0.49) | SSTR4MC4RALDH1A1LMNAPOLB | |
| SCHEMBL31359945 | 0.70 | MC4R (0.49) | SSTR4MC4RALDH1A1LMNAPOLB | |
| SCHEMBL118587 | 0.68 | KDM4E (0.53) | ALDH1A1LMNAPOLB | |
| SCHEMBL1249797 | 0.68 | NR1H4 (0.54) | POLBMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778274-B | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-112778274-A | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2021-05-11 | — | — | CN | disclosed |