Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14452653 | 0.93 | CA2 (0.57) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL14452650 | 0.89 | CA2 (0.57) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL22548874 | 0.87 | CA1 (0.55) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL14452663 | 0.85 | CA1 (0.53) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL14452661 | 0.83 | CA1 (0.52) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL5961679 | 0.80 | CA1 (0.64) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL22360314 | 0.80 | CA1 (0.64) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL21479551 | 0.78 | ALDH1A1 (0.46) | CA2CA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL22152324 | 0.78 | CA1 (0.61) | CA2CA1ALDH1A1CYP3A4GAA | |
| SCHEMBL39130 | 0.78 | CA2 (1.00) | CA2CA1ALDH1A1CYP3A4GAA |
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-2994505-B1 | A PROCESS FOR DEPOLYMERIZATION OF LIGNIN | COUNCIL SCIENT IND RES (IN) | 2017-04-05 | — | — | EP | disclosed |