Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA7 | P43166 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL43932 | 0.87 | — | — | |
| SCHEMBL19204667 | 0.80 | PTPN1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5857909 | 0.80 | PTPN1 (0.49) | CA12CA1CA2CA7CA9 | |
| Maleic Acid SCHEMBL6040512 | 0.77 | HCAR2 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7197439 | 0.74 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL340678 | 0.74 | HDAC4 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14021802 | 0.74 | — | — | |
| SCHEMBL6049107 | 0.73 | HDAC4 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2401374 | 0.72 | SLC6A2 (0.38) | TSHRALDH1A1GAAHPGDTDP1 | |
| SCHEMBL48333 | 0.71 | TSHR (0.53) | ESR1NR1H2TSHRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373629-B1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INT (DE) | 2013-04-10 | — | — | EP | disclosed |