Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5929582 | 1.00 | ALDH1A1 (0.31) | ALDH1A1MAPTHTT | |
| SCHEMBL4831634 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTHTT | |
| SCHEMBL4831609 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTHTT | |
| SCHEMBL4831561 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTHTT | |
| SCHEMBL7138699 | 0.83 | GABBR2 (0.32) | — | |
| SCHEMBL4446823 | 0.83 | GABBR2 (0.32) | — | |
| SCHEMBL3957367 | 0.82 | ATM (0.33) | — | |
| SCHEMBL4184691 | 0.72 | HTR2A (0.30) | — | |
| SCHEMBL4454441 | 0.72 | HTR2A (0.30) | — | |
| SCHEMBL6827611 | 0.72 | HTR2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | claimed |
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |