Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1972879 | 0.72 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL9785319 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL4167580 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL14189982 | 0.69 | CPB1 (0.54) | ALDH1A1TSHRGAANPC1RAB9A | |
| SCHEMBL7612079 | 0.68 | TSHR (0.43) | ALDH1A1HTR2CTSHRMAPK1L3MBTL1 | |
| SCHEMBL1128419 | 0.68 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL3295119 | 0.68 | CYP2C19 (0.45) | ALDH1A1HTR2CTSHRMAPK1L3MBTL1 | |
| SCHEMBL2159645 | 0.65 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL31321938 | 0.65 | CA1 (0.62) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL472117 | 0.65 | CA1 (0.62) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 |
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-2013045429-A1 | EPR METHOD FOR FREE RADICALS DETECTION USING AT LEAST TWO DIFFERENT SPIN TRAPPING COMPOUNDS | Université Catholique de Louvain (BE) | 2013-04-04 | — | — | WO | disclosed |