Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL912658 | 0.97 | ALDH1A1 (0.41) | ALDH1A1TSHRKCNN4HTTMAPK1 | |
| SCHEMBL28980121 | 0.87 | TSHR (0.35) | ALDH1A1TSHRKCNN4HTTMAPK1 | |
| SCHEMBL5469904 | 0.84 | ESR1 (0.54) | ALDH1A1TSHRESR1CYP3A4ESR2 | |
| SCHEMBL8457643 | 0.79 | CA4 (0.48) | ALDH1A1TSHRALOX15CYP3A4 | |
| SCHEMBL5408655 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TSHRKCNN4HTTKDM4E | |
| SCHEMBL1064377 | 0.77 | TSHR (0.43) | ALDH1A1TSHRKCNN4HTTMAPK1 | |
| SCHEMBL4905365 | 0.76 | TSHR (0.38) | ALDH1A1TSHRKCNN4HTTMAPK1 | |
| SCHEMBL11780250 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TSHRKCNN4HTTKDM4E | |
| SCHEMBL1587335 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TSHRKCNN4HTTMAPK1 | |
| Ammonia Solution, Strong SCHEMBL10800501 | 0.74 | TSHR (0.36) | ALDH1A1TSHRKCNN4HTTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004037772-A1 | CONVENIENT AND SCALABLE SYNTHESIS OF ETHYL N-[(2-BOC-AMINO) ETHYL] GLYCINATE AND ITS HYDROCHLORIDE SALT | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2004-05-06 | — | — | WO | disclosed |