Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7829080 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7284629 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL8283041 | 0.89 | TDP1 (0.51) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL8283049 | 0.87 | CASP3 (0.50) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL13937943 | 0.85 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7796562 | 0.85 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7797911 | 0.85 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL12834925 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL28798215 | 0.80 | TDP1 (0.47) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL10588010 | 0.79 | ALDH1A1 (0.61) | ALDH1A1GAATDP1POLBL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36718-E | 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2000-05-30 | — | — | US | disclosed |
| EP-0657415-B1 | METHOD OF PRODUCING 3-AMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID DERIVATIVES AND 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL INTERMEDIATES | KANEKA CORP (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5616726-A | AN 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL BY ADDING NITROMETHANE STEREOSELECTIVELY IN THE PRESENCE OF A BASE TO AN OPTICAL ACTIVE AMINOALDEHYDE; CHEMICAL INTERMEDIATES FOR DRUGS; E.G. THE ANTICARCINOGENIC AGENT, BESTATIN | KANEKA CORPORATION (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0657415-A1 | OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KANEKA CORPORATION (JP) | 1995-06-14 | — | — | EP | disclosed |