Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14553567 | 0.87 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2662391 | 0.85 | LMNA (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2642883 | 0.85 | LMNA (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2662452 | 0.85 | LMNA (0.57) | CA1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL2642734 | 0.84 | LMNA (0.56) | CA1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL2653363 | 0.84 | LMNA (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2644053 | 0.83 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2662356 | 0.83 | NAMPT (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL570567 | 0.82 | LMNA (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27358541 | 0.82 | CA1 (0.53) | CA1CA2CA12CA7CA9 |
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-3087060-B1 | PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-05-13 | — | — | EP | disclosed |