Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | LAP3 | P28838 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098936 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MAOAMAOBKMT2AMAPK1 | |
| SCHEMBL16503352 | 0.87 | ALDH1A1 (0.50) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL1564119 | 0.87 | ALDH1A1 (0.50) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL1564116 | 0.87 | ALDH1A1 (0.50) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL6777555 | 0.86 | IDO1 (0.44) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28349108 | 0.85 | ALDH1A1 (0.49) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2916431 | 0.85 | ALDH1A1 (0.49) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL9052172 | 0.84 | ALDH1A1 (0.46) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL218262 | 0.83 | ALDH1A1 (0.53) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL218263 | 0.83 | ALDH1A1 (0.53) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6765109-B1 | FORMATION OF ENANTIOSELECTIVE MATERIAL; REACTING ARYL THIOL AND PROTECTED SERINE DERIVATIVE | ROCHE COLORADO CORPORATION | 2004-07-20 | — | — | US | disclosed |
| EP-0968997-B1 | Process for S-aryl-L-cysteine and derivatives | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | disclosed |
| EP-1236715-A2 | Process for S-Aryl cysteine | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| US-6229041-B1 | COUPLING CYSTEINE WITH COPPER OR COPPER OXIDE TO GENERATE METAL-AMINO COMPLEX, THEN CONTACTING WITH ARYL-HALIDE TO PRODUCE 3-ARYL-CYSTEINE; XENOBIOTIC METABOLIC PATHWAYS; TARGETTING HIV VIRUS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-05-08 | — | — | US | disclosed |
| EP-0968997-A2 | Process for S-aryl-L-cysteine and derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-05 | — | — | EP | disclosed |