Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9279228 | 1.00 | POLB (0.31) | POLBTSHRMAPK1GAARECQL | |
| SCHEMBL9256797 | 0.80 | ALDH1A1 (0.36) | TSHRSMN1; SMN2 | |
| SCHEMBL9281977 | 0.75 | ALDH1A1 (0.34) | GAA | |
| SCHEMBL9282729 | 0.75 | ALDH1A1 (0.34) | GAA | |
| SCHEMBL1700793 | 0.67 | GAA (0.49) | POLBTSHRMAPK1GAARECQL | |
| SCHEMBL1700792 | 0.67 | GAA (0.49) | POLBTSHRMAPK1GAARECQL | |
| SCHEMBL5386098 | 0.66 | POLB (0.36) | POLBTSHRMAPK1GAA | |
| SCHEMBL1059361 | 0.66 | TSHR (0.40) | POLBTSHRMAPK1GAA | |
| SCHEMBL12479572 | 0.65 | CYP3A4 (0.32) | POLBTSHRMAPK1GAA | |
| SCHEMBL19592046 | 0.65 | CYP3A4 (0.32) | POLBTSHRMAPK1GAA |
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-5380849-A | Process for optically pure decahydroisoqiunolines | MERCK & CO., INC. (US) | 1995-01-10 | — | — | US | claimed |
| US-5380849-A | Process for optically pure decahydroisoqiunolines | MERCK & CO., INC. (US) | 1995-01-10 | — | — | US | disclosed |
| WO-1994011345-A1 | PROCESS FOR OPTICALLY PURE DECAHYDROISOQUINOLINES | MERCK & CO., INC. (US) | 1994-05-26 | — | — | WO | disclosed |