Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 12/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14318502 | 0.85 | CYP19A1 (0.47) | CYP19A1ALDH1A1 | |
| SCHEMBL14318504 | 0.83 | CA12 (0.59) | CA2CA12CA1CA7CA14 | |
| SCHEMBL15899840 | 0.81 | CA2 (0.61) | CA2CA12CA1CA7CA14 | |
| SCHEMBL4636718 | 0.78 | CA2 (0.61) | CA2CA12CA1CA7CA14 | |
| Hydrochloric Acid SCHEMBL27717971 | 0.77 | CA2 (0.59) | CA2CA12CA1CA7CA14 | |
| SCHEMBL8539519 | 0.76 | GABRA1 (0.50) | — | |
| SCHEMBL19808138 | 0.76 | CA2 (0.54) | CA2CA12CA1CA7CA14 | |
| SCHEMBL8191003 | 0.75 | CA2 (0.55) | CA2CA12CA1CA14CA9 | |
| SCHEMBL14380627 | 0.74 | CYP19A1 (0.57) | CA2CA12CA1CA7CA14 | |
| SCHEMBL8180636 | 0.74 | RECQL (0.47) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937652-B1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMA INC (US) | 2014-07-30 | — | — | EP | claimed |
| WO-2012174362-A1 | PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS | RESEARCH TRIANGLE INSTITUTE (US) | 2012-12-20 | — | — | WO | disclosed |