Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | CA5A | P35218 | 4/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.47 |
| ▸ | CA6 | P23280 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11809216 | 0.79 | POLB (0.44) | CA2CA1CA9CA12CA7 | |
| SCHEMBL11785640 | 0.74 | POLB (0.54) | CA2CA1CA9CA12CA7 | |
| SCHEMBL9282483 | 0.74 | XDH (0.46) | ALDH1A1POLBGABRA1GABRB2KDM4E | |
| SCHEMBL9285697 | 0.74 | XDH (0.46) | CA2CA1CA9CA7CA5A | |
| SCHEMBL2453608 | 0.72 | POLB (0.41) | CA2CA1CA9CA12CA7 | |
| SCHEMBL11819621 | 0.72 | POLB (0.39) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL11696511 | 0.71 | CA2 (0.56) | CA2CA1CA9CA12CA7 | |
| SCHEMBL30893534 | 0.71 | CA1 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL11681404 | 0.71 | CA1 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL11804030 | 0.71 | CA12 (0.59) | CA2CA1CA9CA12CA7 |
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-4062952-A | Substituted benzenedisulfonamides as anthelmintics | MERCK & CO., INC. (US) | 1977-12-13 | — | — | US | disclosed |