Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7852938 | 0.81 | CA3 (0.41) | ALDH1A1CA1CA2PDE3ACES2 | |
| SCHEMBL10361789 | 0.79 | CES2 (0.36) | ALDH1A1CA1CA2PDE3ACES2 | |
| SCHEMBL14227200 | 0.79 | CA3 (0.35) | ALDH1A1CA1CA2PDE3ACES2 | |
| SCHEMBL2297807 | 0.78 | TAAR1 (0.47) | PDE3ACA9 | |
| SCHEMBL12062032 | 0.77 | NFE2L2 (0.36) | ALDH1A1CA1CA2PDE3ACES2 | |
| SCHEMBL29424567 | 0.77 | LPL (0.50) | ALDH1A1CA1CA2PDE3AIDO1 | |
| SCHEMBL1484036 | 0.77 | CES2 (0.35) | ALDH1A1CA1CA2PDE3ACES2 | |
| SCHEMBL897058 | 0.77 | LPL (0.50) | ALDH1A1CA1CA2PDE3AIDO1 | |
| SCHEMBL15159876 | 0.73 | CA1 (0.37) | CA1CA2PDE3ACA3CA6 | |
| SCHEMBL1483436 | 0.70 | NFE2L2 (0.32) | NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736509-B1 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL CO (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-6025531-A | REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-02-15 | — | — | US | disclosed |
| US-5801280-A | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-09-01 | — | — | US | disclosed |
| EP-0736509-A2 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-10-09 | — | — | EP | disclosed |