Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 2/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | FPR3 | P25089 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28912364 | 0.88 | SSTR4 (0.38) | ALDH1A1SMN1; SMN2LMNAPOLBMC4R | |
| SCHEMBL29455198 | 0.80 | TACR1 (0.40) | SMN1; SMN2FPR3FPR2 | |
| SCHEMBL29455219 | 0.76 | ENPP2 (0.47) | KDM4E | |
| SCHEMBL29455194 | 0.76 | ENPP2 (0.47) | KDM4E | |
| SCHEMBL29455217 | 0.73 | SSTR4 (0.44) | SMN1; SMN2TP53 | |
| SCHEMBL5545932 | 0.71 | THRB (0.35) | MAPK1 | |
| SCHEMBL29455206 | 0.70 | TACR1 (0.37) | ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL17112554 | 0.69 | OPRK1 (0.33) | LMNA | |
| SCHEMBL29455201 | 0.67 | SMYD3 (0.38) | ALDH1A1LMNAKDM4E | |
| SCHEMBL118587 | 0.67 | KDM4E (0.53) | ALDH1A1LMNAPOLBKDM4E |
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-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 |