Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 4/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | KLK5 | Q9Y337 | 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 | |
|---|---|---|---|---|
| SCHEMBL8047125 | 0.94 | MCL1 (0.49) | CYP1A2RECQLMCL1ALDH1A1MAPT | |
| SCHEMBL10741162 | 0.79 | CYP1A2 (0.47) | CYP1A2RECQLMCL1MAPK1TLR4 | |
| SCHEMBL21331482 | 0.78 | CYP1A2 (0.46) | CYP1A2RECQLMCL1MAPK1TLR4 | |
| SCHEMBL10305711 | 0.76 | CYP1A2 (0.45) | CYP1A2RECQLMCL1MAPK1 | |
| SCHEMBL22020336 | 0.76 | — | — | |
| SCHEMBL1793810 | 0.76 | — | — | |
| SCHEMBL21518112 | 0.75 | CYP1A2 (0.44) | CYP1A2RECQLMCL1MAPK1TLR4 | |
| SCHEMBL172131 | 0.75 | CYP1A2 (0.44) | CYP1A2RECQLMCL1ALDH1A1MAPK1 | |
| SCHEMBL20292448 | 0.75 | EPHX1 (0.47) | CYP1A2RECQLMCL1ALDH1A1MAPT | |
| SCHEMBL22468834 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991772-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | Biocatalytics, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998054350-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1998-12-03 | — | — | WO | disclosed |