Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20608413 | 0.58 | ALDH1A1 (0.42) | AQP1CCR6ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL389190 | 0.58 | FOS (0.63) | ALDH1A1CYP2C9MEN1CYP3A4KMT2A | |
| SCHEMBL389191 | 0.58 | FOS (0.63) | ALDH1A1CYP2C9MEN1CYP3A4KMT2A | |
| SCHEMBL4774186 | 0.58 | ALDH1A1 (0.30) | ALDH1A1LMNA | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305582 | 0.57 | NFE2L2 (0.74) | CYP2C9CYP2C19CYP3A4MAPTLMNA | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305580 | 0.57 | NFE2L2 (0.74) | CYP2C9CYP2C19CYP3A4MAPTLMNA | |
| SCHEMBL318785 | 0.57 | NFE2L2 (0.74) | CYP2C9CYP2C19CYP3A4MAPTLMNA | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1793692 | 0.57 | NFE2L2 (0.74) | CYP2C9CYP2C19CYP3A4MAPTLMNA | |
| SCHEMBL318786 | 0.57 | NFE2L2 (0.74) | CYP2C9CYP2C19CYP3A4MAPTLMNA | |
| SCHEMBL28448552 | 0.57 | CA1 (0.41) | AQP1CCR6ALDH1A1CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0475627-B1 | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEM RES (JP) | 1994-10-19 | — | — | EP | disclosed |
| US-5276154-A | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0475627-A1 | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-03-18 | — | — | EP | disclosed |