Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | OGG1 | O15527 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129210 | 0.92 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8476290 | 0.92 | ALDH1A1 (0.52) | ESR1ESR2TSHRALDH1A1TP53 | |
| SCHEMBL10784956 | 0.92 | ALOX15 (0.52) | ESR1ESR2TSHRALDH1A1ALOX15 | |
| SCHEMBL1056429 | 0.81 | ALDH1A1 (0.44) | CYP2A6ESR1ESR2TSHRALDH1A1 | |
| SCHEMBL19843843 | 0.78 | ESR1 (0.62) | ESR1ESR2TSHRALDH1A1TP53 | |
| SCHEMBL936317 | 0.78 | SMN1; SMN2 (0.50) | ESR1ESR2ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL10785061 | 0.78 | PTGS1 (0.50) | HDAC3HDAC1HDAC2ARSMN1; SMN2 | |
| SCHEMBL31416099 | 0.77 | MME (0.37) | CYP2A6ESR1ESR2TSHRALDH1A1 | |
| SCHEMBL25278922 | 0.77 | CYP2A6 (0.44) | CYP2A6ESR1ESR2TSHRALDH1A1 | |
| SCHEMBL6935611 | 0.76 | CYP3A4 (0.50) | ESR1ESR2ALDH1A1POLBSMN1; SMN2 |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |