Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 10/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8055172 | 1.00 | HSD17B1 (0.44) | HSD17B1ESR1ESR2MEN1TP53 | |
| SCHEMBL2064898 | 0.88 | MEN1 (0.42) | MEN1MAPTMAPK1KMT2A | |
| SCHEMBL8055202 | 0.88 | MEN1 (0.42) | MEN1MAPTMAPK1KMT2A | |
| SCHEMBL8037590 | 0.86 | MEN1 (0.40) | HSD17B1ESR1ESR2MEN1TP53 | |
| SCHEMBL8410014 | 0.86 | MEN1 (0.40) | HSD17B1ESR1ESR2MEN1TP53 | |
| SCHEMBL8037341 | 0.86 | ALDH1A1 (0.43) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL8049038 | 0.86 | ALDH1A1 (0.43) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL8049962 | 0.85 | SLC6A9 (0.46) | MAPTALOX15CA12CA1CA2 | |
| SCHEMBL8048116 | 0.82 | TSHR (0.43) | MAPT | |
| SCHEMBL8037300 | 0.82 | TSHR (0.43) | MAPT |
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 |