Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890090 | 0.93 | KEAP1 (0.39) | ALDH1A1LMNAPOLBGAATBXA2R | |
| SCHEMBL8890086 | 0.92 | POLB (0.39) | ALDH1A1POLBGAAABCC8KMT2A | |
| SCHEMBL8890597 | 0.91 | ABCC8 (0.38) | ALDH1A1LMNASMN1; SMN2POLBGAA | |
| SCHEMBL8891432 | 0.90 | ALDH1A1 (0.37) | ALDH1A1LMNASMN1; SMN2POLBGAA | |
| SCHEMBL8891613 | 0.87 | KEAP1 (0.33) | ALDH1A1LMNASMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL8891041 | 0.85 | LMNA (0.42) | ALDH1A1LMNASMN1; SMN2POLBGAA | |
| SCHEMBL8891389 | 0.85 | — | — | |
| SCHEMBL8890552 | 0.85 | KEAP1 (0.38) | ALDH1A1LMNAGAATBXA2RABCC8 | |
| SCHEMBL8893013 | 0.84 | ALDH1A1 (0.34) | ALDH1A1LMNASMN1; SMN2POLBGAA | |
| SCHEMBL8892874 | 0.84 | ALDH1A1 (0.38) | ALDH1A1LMNASMN1; SMN2POLBGAA |
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-5607976-A | ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-03-04 | — | — | US | disclosed |