Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17347836 | 1.00 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23129709 | 0.92 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17347783 | 0.92 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17347697 | 0.89 | MTNR1A (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23130177 | 0.89 | ALOX5 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17347806 | 0.89 | ALOX5 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23130281 | 0.89 | MTNR1A (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23129955 | 0.88 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17347776 | 0.88 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17347663 | 0.88 | CA12 (0.38) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3154989-B1 | BETA-LACTAMASE INHIBITORS | VENATORX PHARMACEUTICALS INC (US) | 2021-03-24 | — | — | EP | disclosed |