Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | CA3 | P07451 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3466897 | 0.86 | KMT2A (0.47) | CA1CA2CA5AALDH1A1ALPL | |
| SCHEMBL3466693 | 0.83 | CA1 (0.40) | CA9CA1CA2CA4CA7 | |
| SCHEMBL3466941 | 0.82 | CTSK (0.40) | CA2ALDH1A1MMP1MMP2MMP9 | |
| SCHEMBL3467086 | 0.82 | MEN1 (0.39) | CA9CA1CA2CA12CA14 | |
| SCHEMBL27821616 | 0.81 | CTSL (0.40) | ALDH1A1PARL | |
| SCHEMBL3466268 | 0.81 | CTSL (0.40) | ALDH1A1PARL | |
| SCHEMBL3467851 | 0.78 | KMT2A (0.44) | CA1CA2ALDH1A1ALPLPOLB | |
| SCHEMBL19469361 | 0.77 | CA2 (0.52) | CA9CA1CA2CA12CA14 | |
| SCHEMBL2672403 | 0.76 | CA2 (0.50) | CA9CA1CA2CA12CA14 | |
| SCHEMBL8875245 | 0.76 | MMP9 (0.45) | CA9CA1CA2CA12CA14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |