Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3788820 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPK1TP53MAPT | |
| Ethylene Glycol SCHEMBL8120785 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL27499874 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL3967790 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL3969819 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TP53MAPT | |
| 1,4-Butanediol SCHEMBL8129627 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL10356241 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL2821051 | 0.72 | — | — | |
| SCHEMBL13500045 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL8526493 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261349-B1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CHELATOR LLC (US) | 2008-09-03 | — | — | EP | disclosed |