Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 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 | |
|---|---|---|---|---|
| SCHEMBL8890891 | 0.93 | KEAP1 (0.37) | ALDH1A1LMNAPTPRBTBXA2RMAPT | |
| SCHEMBL8891439 | 0.92 | PTPRB (0.40) | POLBLMNAMAPK1ABCC8PTPRB | |
| SCHEMBL8890922 | 0.91 | ABCC8 (0.38) | ALDH1A1POLBCYP3A4SLC22A1ABCC3 | |
| SCHEMBL8893995 | 0.91 | ALDH1A1 (0.41) | ALDH1A1POLBCYP3A4SLC22A1ABCC3 | |
| SCHEMBL8892721 | 0.87 | IDH1 (0.35) | ALDH1A1POLBLMNAPTPRBSMN1; SMN2 | |
| SCHEMBL8892008 | 0.85 | PTPRB (0.31) | PTPRB | |
| SCHEMBL8892165 | 0.85 | ABCC9 (0.37) | ALDH1A1LMNAABCC8PTPRBTBXA2R | |
| SCHEMBL8893620 | 0.84 | ALDH1A1 (0.34) | ALDH1A1POLBCYP3A4SLC22A1ABCC3 | |
| SCHEMBL8893013 | 0.84 | ALDH1A1 (0.34) | ALDH1A1POLBCYP3A4SLC22A1ABCC3 | |
| SCHEMBL8892364 | 0.84 | KEAP1 (0.38) | ALDH1A1POLBTBXA2R |
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 |