Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8410014 | 1.00 | MEN1 (0.40) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8406851 | 0.88 | MAPK1 (0.42) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8047432 | 0.86 | HSD17B1 (0.44) | MEN1KMT2AMAPTCA12CA1 | |
| SCHEMBL8055172 | 0.86 | HSD17B1 (0.44) | MEN1KMT2AMAPTCA12CA1 | |
| SCHEMBL8052105 | 0.85 | ALDH1A1 (0.42) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8047477 | 0.85 | ALDH1A1 (0.42) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8055063 | 0.84 | CA12 (0.43) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8049334 | 0.81 | TSHR (0.45) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8037835 | 0.81 | TSHR (0.45) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL8409772 | 0.81 | AKR1C3 (0.43) | CYP1A2TSHR |
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 |