Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6866723 | 1.00 | LMNA (0.34) | LMNATSHRKMT2AHSD11B1APP | |
| SCHEMBL6866727 | 1.00 | LMNA (0.34) | LMNATSHRKMT2AHSD11B1APP | |
| SCHEMBL9876785 | 1.00 | LMNA (0.34) | LMNATSHRKMT2AHSD11B1APP | |
| SCHEMBL19628669 | 0.64 | APP (0.37) | LMNATSHRKMT2AHSD11B1APP | |
| SCHEMBL11273130 | 0.63 | CHRM2 (0.31) | — | |
| SCHEMBL17220166 | 0.62 | TP53 (0.33) | LMNATSHRKMT2AAPPBACE1 | |
| SCHEMBL9813673 | 0.61 | HSD11B1 (0.40) | LMNATSHRKMT2AHSD11B1APP | |
| SCHEMBL9195238 | 0.61 | MAPT (0.42) | LMNATSHRKMT2AHSD11B1BACE1 | |
| SCHEMBL8686102 | 0.61 | APP (0.35) | KMT2AHSD11B1APPBACE1BACE2 | |
| SCHEMBL8686431 | 0.61 | APP (0.35) | KMT2AHSD11B1APPBACE1BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5004815-A | Combining thioc ester with ketone or aldehyde to form adduct, cyclization | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1991-04-02 | — | — | US | disclosed |
| WO-1990012792-A1 | METHOD FOR SYNTHESIZING β-LACTONES AND ALKENES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1990-11-01 | — | — | WO | disclosed |