Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL8048134 | 0.79 | FOLH1 (0.35) | CA2CA1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1047552 | 0.76 | CA2 (0.47) | CA2CA1CTSDSLC1A3SLC1A2 | |
| SCHEMBL3504770 | 0.72 | CHRM1 (0.38) | CA2SLC1A3SLC1A2SLC1A1ALDH1A1 | |
| Ethylmalonate SCHEMBL107241 | 0.71 | — | — | |
| SCHEMBL3226142 | 0.70 | CHRM1 (0.36) | CA2SLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL1758553 | 0.70 | CA1 (0.50) | CA2CA1CTSDALDH1A1KDM4E | |
| SCHEMBL5753839 | 0.70 | TDP1 (0.36) | CA2SLC1A3SLC1A2SLC1A1ALDH1A1 | |
| Ethylmalonate SCHEMBL9765245 | 0.68 | HDAC1 (0.43) | CA2SLC1A3SLC1A2SLC1A1ALDH1A1 | |
| Ethylmalonate SCHEMBL9118935 | 0.68 | HDAC1 (0.43) | CA2SLC1A3SLC1A2SLC1A1MEN1 | |
| Ethylmalonate SCHEMBL108554 | 0.68 | HDAC1 (0.43) | CA2SLC1A3SLC1A2SLC1A1ALDH1A1 |
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-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 |
| US-5834261-A | STEREOSPECIFIC REARRANGEMENT BIOSYNTHESIS BY MICROORGANISM | BIOCATALYTICS, INC. (US) | 1998-11-10 | — | — | US | disclosed |