Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8049334 | 1.00 | TSHR (0.45) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL8037300 | 0.85 | TSHR (0.43) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL7708841 | 0.85 | TSHR (0.43) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL8048116 | 0.85 | TSHR (0.43) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL4815395 | 0.84 | NR1D1 (0.48) | TSHRMAPTPKMATMKDM4E | |
| SCHEMBL14193309 | 0.84 | NR1D1 (0.48) | TSHRMAPTPKMATMKDM4E | |
| SCHEMBL8269018 | 0.84 | MAPT (0.41) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL8269016 | 0.84 | MAPT (0.41) | TSHRCYP1A2CYP2C19MAPTPKM | |
| SCHEMBL22992354 | 0.83 | CYP1A2 (0.42) | TSHRCYP1A2CYP2C19MAPTOPRM1 | |
| SCHEMBL8037590 | 0.81 | MEN1 (0.40) | TSHRCYP1A2CYP2C19MAPTOPRM1 |
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 |