Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL25387244 | 0.80 | HCAR2 (0.43) | ALDH1A1HCAR2LMNAKDM4EGLA | |
| SCHEMBL10329474 | 0.78 | HCAR2 (0.41) | ALDH1A1HCAR2LMNAKDM4EGLA | |
| SCHEMBL2135936 | 0.77 | HCAR2 (0.38) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| SCHEMBL12582839 | 0.76 | HCAR2 (0.45) | ALDH1A1HCAR2LMNAKDM4EGLA | |
| SCHEMBL2135774 | 0.76 | — | — | |
| SCHEMBL5007598 | 0.76 | HCAR2 (0.45) | ALDH1A1HCAR2LMNAKDM4EGLA | |
| SCHEMBL9792846 | 0.74 | SMN1; SMN2 (0.39) | ALDH1A1TSHR | |
| SCHEMBL4165312 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HCAR2LMNAESR1CHRM1 | |
| SCHEMBL8717353 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HCAR2LMNAKDM4EGLA | |
| SCHEMBL9125607 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HCAR2LMNAKDM4EGLA |
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-4985366-A | Process for the enzymatic resolution of the optical isomers of racemic ester derivatives of 3-mercapto-2-alkyl-propionic acid | MONTEDISON S.P.A (IT) | 1991-01-15 | — | — | US | disclosed |
| EP-0344791-A2 | Process for the enzymatic resolution of the optical isomers of racemic ester derivatives of 3-mercapto-2-alkyl-propionic acid | Montedison S.p.A. (IT) | 1989-12-06 | — | — | EP | disclosed |