Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30532623 | 0.91 | LMNA (0.45) | ESR1ESR2KMT2APTGS1PTGS2 | |
| SCHEMBL30532625 | 0.90 | IDO1 (0.50) | ESR1ESR2KMT2APTGS1PTGS2 | |
| SCHEMBL5696581 | 0.86 | ESR1 (0.50) | ESR1ESR2KMT2AKIF11HCAR2 | |
| SCHEMBL2294892 | 0.86 | TDP1 (0.51) | KMT2APTGS1PTGS2HCAR2KLK7 | |
| SCHEMBL15866633 | 0.86 | TDP1 (0.51) | KMT2APTGS1PTGS2HCAR2KLK7 | |
| SCHEMBL10254557 | 0.84 | HCAR2 (0.56) | KMT2APTGS1PTGS2HCAR2KLK7 | |
| Ammonia Solution, Strong SCHEMBL29143210 | 0.84 | TDP1 (0.50) | KMT2APTGS1PTGS2HCAR2KLK7 | |
| SCHEMBL10200437 | 0.84 | ESR1 (0.49) | ESR1ESR2KMT2AKIF11HCAR2 | |
| SCHEMBL27261768 | 0.84 | ESR1 (0.49) | ESR1ESR2KMT2AKIF11HCAR2 | |
| SCHEMBL27693738 | 0.84 | ESR1 (0.49) | ESR1ESR2KMT2AKIF11HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140979-A1 | POLYOL COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040599-A1 | POLYOL COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-07-13 | — | — | WO | disclosed |