Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5897133 | 1.00 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5897128 | 1.00 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5897120 | 1.00 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5897200 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL8410294 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5896984 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5897196 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5896975 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL5896981 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 | |
| SCHEMBL29250547 | 0.85 | ALDH1A1 (0.45) | ALDH1A1LMNAEPHX1CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |