Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977012 | 0.90 | ALDH1A1 (0.46) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL19976964 | 0.88 | L3MBTL1 (0.58) | ALDH1A1NPSR1TSHRATML3MBTL1 | |
| SCHEMBL19977068 | 0.88 | BACE1 (0.57) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL19977001 | 0.88 | KMT2A (0.47) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL19976960 | 0.87 | LMNA (0.58) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL19977105 | 0.85 | ALDH1A1 (0.55) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL19977049 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NPSR1USP2TSHRSMN1; SMN2 | |
| SCHEMBL23594204 | 0.83 | SMN1; SMN2 (0.45) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL16999499 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPSR1USP2GLATSHR | |
| SCHEMBL16993897 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPSR1USP2GLATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9919998-B2 | Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-03-20 | — | — | US | disclosed |