Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2210124 | 0.95 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL8943957 | 0.93 | CA1 (0.46) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL2689280 | 0.89 | CA4 (0.56) | SMN1; SMN2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL5424442 | 0.87 | ESR1 (0.58) | SMN1; SMN2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL1591676 | 0.85 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL22014956 | 0.84 | KMT2A (0.43) | ALDH1A1KMT2AMEN1LMNACA12 | |
| SCHEMBL29024093 | 0.83 | LTA4H (0.65) | SMN1; SMN2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL13720899 | 0.82 | CA4 (0.59) | ALDH1A1CYP3A4CA4LTA4HKDM4E | |
| SCHEMBL10065630 | 0.82 | CA4 (0.59) | ALDH1A1CYP3A4CA4LTA4HKDM4E | |
| SCHEMBL3339294 | 0.82 | CA4 (0.59) | ALDH1A1CYP3A4CA4LTA4HKDM4E |
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-3024039-B1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | SMARTKEM LTD (GB) | 2020-05-20 | — | — | EP | disclosed |