Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31424563 | 0.90 | ALDH1A1 (0.81) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL11775277 | 0.88 | ALDH1A1 (0.71) | ALDH1A1GAACA12CA2CA9 | |
| SCHEMBL9308052 | 0.85 | GAA (0.76) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL9307243 | 0.84 | ALDH1A1 (0.68) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL17089349 | 0.82 | GAA (0.53) | ALDH1A1GAATSHRLMNAHTT | |
| SCHEMBL9066249 | 0.82 | ALDH1A1 (0.96) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL11771962 | 0.82 | ALDH1A1 (0.70) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL8048430 | 0.82 | ALDH1A1 (0.96) | ALDH1A1GAATSHRCA12CA2 | |
| SCHEMBL436861 | 0.81 | ALDH1A1 (0.62) | ALDH1A1GAATSHRCA12CA2 | |
| Hydrochloric Acid SCHEMBL11773281 | 0.81 | ALDH1A1 (0.68) | ALDH1A1GAACA12CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139456-B2 | Chelating compounds and immobilized tethered chelators | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2015-09-22 | — | — | US | disclosed |