Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL27242958 | 0.89 | ITGB3 (0.41) | SMN1; SMN2MAPK1USP2ALDH1A1CYP1A2 | |
| SCHEMBL30990853 | 0.85 | HSD17B10 (0.41) | SMN1; SMN2MAPK1USP2ALDH1A1CYP1A2 | |
| SCHEMBL30137486 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2ROCK2ALDH1A1MGLL | |
| SCHEMBL8589894 | 0.70 | HTR3A (0.50) | SMN1; SMN2ALDH1A1KDR | |
| SCHEMBL7711512 | 0.68 | ENPP2 (0.54) | SMN1; SMN2MAPK1ALDH1A1CYP1A2HIF1A | |
| SCHEMBL25026452 | 0.67 | KHK (0.34) | KHKSMN1; SMN2MAPK1USP2ALDH1A1 | |
| SCHEMBL8305123 | 0.66 | HTR3A (0.54) | SMN1; SMN2TSHRKDRFLT3 | |
| SCHEMBL31635906 | 0.65 | TMEM97 (0.55) | SMN1; SMN2 | |
| SCHEMBL25026459 | 0.65 | DDB1 (0.65) | KHKSMN1; SMN2MAPK1USP2ALDH1A1 | |
| SCHEMBL27953763 | 0.64 | POLB (0.54) | SMN1; SMN2ROCK2USP2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |