Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TERT | O14746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2331029 | 0.81 | SMN1; SMN2 (0.51) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL3959577 | 0.81 | SMN1; SMN2 (0.51) | CES2CES1MAPTKDM4EHPGD | |
| Methyl Alcohol SCHEMBL8740643 | 0.80 | SMN1; SMN2 (0.50) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL27373888 | 0.78 | NPC1 (0.58) | CES2CES1KDM4EHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6781734 | 0.78 | CES2 (0.57) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL4653873 | 0.78 | RARA (0.41) | MAPTKMT2AMEN1ALDH1A1TDP1 | |
| SCHEMBL6904379 | 0.76 | CES2 (0.53) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL29851622 | 0.76 | CES2 (0.53) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL3555645 | 0.75 | CES2 (0.52) | CES2CES1MAPTKDM4EHPGD | |
| SCHEMBL8654881 | 0.74 | CA1 (0.52) | CES2CES1MAPTKDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0967015-B1 | Use of ferrocenyl ligands in catalytic enantioselective hydrogenation | DEGUSSA (DE) | 2005-01-12 | — | — | EP | disclosed |
| EP-0967015-A2 | Use of ferrocenyl ligands in catalytic enantioselective hydrogenation | Degussa-Hüls Aktiengesellschaft (DE) | 1999-12-29 | — | — | EP | disclosed |