Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.42 |
| ▸ | PPARG | P37231 | 7/20 | 0.42 |
| ▸ | PPARD | Q03181 | 7/20 | 0.42 |
| ▸ | PPARA | Q07869 | 7/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL543757 | 0.87 | CES1 (0.55) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL3789226 | 0.84 | — | — | |
| SCHEMBL6961963 | 0.82 | CES1 (0.50) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL6977331 | 0.80 | CES1 (0.48) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL6969726 | 0.80 | CES1 (0.48) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL175600 | 0.79 | CES2 (0.57) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL1786722 | 0.77 | CES2 (0.59) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL10954355 | 0.77 | CES2 (0.59) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL6040271 | 0.77 | CES2 (0.59) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL6970922 | 0.76 | CES1 (0.44) | CES1CES2ALDH1A1AKR1B1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5198452-A | Leukotriene antagonist, lipoxygenase or cyclooxygenase inhibitors, antihistamines or antiallergens | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1993-03-30 | — | — | US | disclosed |
| EP-0466125-A2 | Styryl compounds and their pharmaceutical use | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-01-15 | — | — | EP | disclosed |