Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.70 |
| ▸ | CA1 | P00915 | 6/20 | 0.70 |
| ▸ | CA2 | P00918 | 6/20 | 0.70 |
| ▸ | CA7 | P43166 | 6/20 | 0.70 |
| ▸ | CA9 | Q16790 | 6/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.70 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.62 |
| ▸ | ESR1 | P03372 | 3/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL39791 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29625511 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14150336 | 0.82 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29957460 | 0.82 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15067045 | 0.82 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29955941 | 0.82 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8446366 | 0.81 | CA1 (0.67) | CA12CA1CA2CA7CA9 | |
| Water SCHEMBL16678551 | 0.81 | CA12 (0.96) | CA12CA1CA2CA7CA9 | |
| SCHEMBL334524 | 0.81 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16237666 | 0.81 | HSD17B2 (0.63) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |