Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 4/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8037341 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TDP1RORCSRD5A1CYP4F2 | |
| SCHEMBL8047477 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TDP1RORCCA12CA1 | |
| SCHEMBL8052105 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TDP1RORCCA12CA1 | |
| SCHEMBL8055172 | 0.86 | HSD17B1 (0.44) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL8047432 | 0.86 | HSD17B1 (0.44) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL2064898 | 0.85 | MEN1 (0.42) | ALDH1A1SRD5A1HTTKDM4ETSHR | |
| SCHEMBL8055202 | 0.85 | MEN1 (0.42) | ALDH1A1SRD5A1HTTKDM4ETSHR | |
| SCHEMBL8049962 | 0.84 | SLC6A9 (0.46) | ALDH1A1TDP1SRD5A1CA12CA1 | |
| SCHEMBL8048116 | 0.81 | TSHR (0.43) | ALDH1A1HTTKDM4ETSHR | |
| SCHEMBL8037300 | 0.81 | TSHR (0.43) | ALDH1A1HTTKDM4ETSHR |
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 |