Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | KIF11 | P52732 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28969846 | 0.81 | ESR1 (0.53) | ESR1ESR2KIF11ALDH1A1SMN1; SMN2 | |
| SCHEMBL656272 | 0.79 | ESR1 (0.74) | ESR1ESR2ALDH1A1 | |
| SCHEMBL7543600 | 0.74 | ESR1 (0.63) | ESR1ESR2KIF11 | |
| SCHEMBL7569647 | 0.74 | HDAC3 (0.50) | L3MBTL1ALDH1A1MAPTSMN1; SMN2TSHR | |
| SCHEMBL14360769 | 0.74 | HDAC3 (0.50) | L3MBTL1ALDH1A1MAPTSMN1; SMN2TSHR | |
| SCHEMBL3470640 | 0.73 | ESR1 (0.65) | ESR1ESR2ALDH1A1TSHR | |
| SCHEMBL3471623 | 0.73 | ESR1 (0.65) | ESR1ESR2ALDH1A1TSHR | |
| SCHEMBL3471552 | 0.73 | ESR1 (0.65) | ESR1ESR2ALDH1A1TSHR | |
| SCHEMBL11803386 | 0.73 | KIF11 (0.46) | KIF11TSHR | |
| SCHEMBL28036464 | 0.72 | ESR1 (0.85) | ESR1ESR2KIF11ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224159-B1 | IMPROVED SYNTHESIS OF RACEMIC SERTRALINE | GEA FARMACEUTISK FABRIK AS (DK) | 2004-02-25 | — | — | EP | disclosed |