Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MMP2 | P08253 | 2/20 | 0.60 |
| ▸ | MMP13 | P45452 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MCOLN2 | Q8IZK6 | 2/20 | 0.47 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.47 |
| ▸ | MCOLN1 | Q9GZU1 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30613684 | 0.97 | MMP2 (0.64) | ALDH1A1TSHRCYP3A4MMP2MMP13 | |
| SCHEMBL21751532 | 0.97 | MMP2 (0.64) | ALDH1A1TSHRCYP3A4MMP2MMP13 | |
| SCHEMBL8068632 | 0.97 | MMP2 (0.64) | ALDH1A1TSHRCYP3A4MMP2MMP13 | |
| SCHEMBL21751533 | 0.97 | MMP2 (0.64) | ALDH1A1TSHRCYP3A4MMP2MMP13 | |
| SCHEMBL3970619 | 0.89 | ALDH1A1 (0.72) | ALDH1A1TSHRCYP3A4KDM4ERECQL | |
| SCHEMBL14842581 | 0.84 | MMP2 (0.60) | ALDH1A1TSHRMMP2MMP13KDM4E | |
| SCHEMBL15969143 | 0.84 | MMP2 (0.60) | ALDH1A1TSHRMMP2MMP13KDM4E | |
| SCHEMBL1968485 | 0.84 | ALDH1A1 (0.66) | ALDH1A1TSHRCYP3A4KDM4ERECQL | |
| SCHEMBL15618828 | 0.83 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4KDM4ERECQL | |
| SCHEMBL15621853 | 0.83 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4KDM4ERECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-6025177-A | ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE | SEPRACOR INC. (US) | 2000-02-15 | — | — | US | claimed |
| US-6025177-A | ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE | SEPRACOR INC. (US) | 2000-02-15 | — | — | US | disclosed |
| US-6013830-A | CHEMICAL INTERMEDIATES FOR OXYBUTYNIN, OXYPHENCYCLIMINE, OXYPHENONIUM BROMIDE, OXYPYRRONIUM BROMIDE, AND OXYSONIUM IODIDE, FOR WHICH CYCLOHEXYLPHENYLGLYCOLIC ACID (CHPGA) IS OF SPECIAL INTEREST; STEREOSELECTIVITY | SEPRACOR INC. (US) | 2000-01-11 | — | — | US | disclosed |