Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9212741 | 0.81 | ALDH1A1 (0.32) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9154668 | 0.81 | TSHR (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9203463 | 0.78 | AKR1B1 (0.33) | TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL284018 | 0.76 | TSHR (0.40) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Ammonia Solution, Strong SCHEMBL28651755 | 0.74 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL10830599 | 0.74 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9710097 | 0.74 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28727403 | 0.74 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL5274369 | 0.72 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL800011 | 0.72 | ALDH1A1 (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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-0643710-A1 | SYNTHESIS OF OPTICALLY ACTIVE LACTONES FROM L-ASPARTIC ACID AND INTERMEDIATES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5322942-A | Deprotecting and hydrolyzing protected aspartic acid diester, reacting with nitrosylating agent in presence of hydrogen halide, esterifying, reacting with acyl aryl derivative | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-06-21 | — | — | US | disclosed |
| WO-1992021675-A1 | SYNTHESIS OF OPTICALLY ACTIVE LACTONES FROM L-ASPARTIC ACID AND INTERMEDIATES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-12-10 | — | — | WO | disclosed |