Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343283 | 0.91 | CES2 (0.54) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL28775846 | 0.86 | CES2 (0.59) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL247590 | 0.86 | CES2 (0.59) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL22619 | 0.81 | CES2 (0.59) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL22115811 | 0.81 | CES2 (0.59) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL18050295 | 0.80 | CES2 (0.52) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL28343284 | 0.80 | ALOX15 (0.56) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL18050293 | 0.80 | CES2 (0.52) | CES2CES1SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL11419878 | 0.79 | SMN1; SMN2 (0.53) | CES2CES1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL6444130 | 0.78 | ALDH1A1 (0.52) | CES2CES1SMN1; SMN2L3MBTL1NPC1 |
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-3325524-A1 | NOVEL ALUMINUM-DOPED, IMINOACETIC ACID GROUP-CONTAINING CHELATE RESINS | Lanxess Deutschland GmbH (DE) | 2018-05-30 | — | — | EP | disclosed |