Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16520526 | 0.85 | CA12 (0.58) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL20122334 | 0.84 | CA1 (0.44) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL21386653 | 0.83 | CA12 (0.44) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL24669294 | 0.82 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL24671341 | 0.81 | CA12 (0.49) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL29802513 | 0.79 | CA12 (0.51) | CA12CA1CA2CA9ITGB3 | |
| SCHEMBL24834412 | 0.79 | CA12 (0.51) | CA12CA1CA2CA9ITGB3 | |
| SCHEMBL15125597 | 0.78 | POLB (0.46) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL18199289 | 0.78 | CA12 (0.61) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL16504793 | 0.77 | CA12 (0.36) | CA12CA1CA2CA9PDK2 |
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-9963427-B2 | Dithiol mucolytic agents | PARION SCIENCES, INC. (US) | 2018-05-08 | — | — | US | disclosed |