Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.37 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24836139 | 0.78 | MMP2 (0.34) | MMP2MMP8MMP3CA12CA1 | |
| SCHEMBL22216650 | 0.77 | MMP2 (0.33) | MMP2MMP8MMP3ANPEP | |
| SCHEMBL3469587 | 0.73 | CA12 (0.32) | MMP2MMP8CA12CA1CA2 | |
| SCHEMBL9081756 | 0.73 | SLC1A3 (0.36) | MMP2MMP8CA12CA1CA2 | |
| SCHEMBL14529792 | 0.71 | CA4 (0.35) | MMP2MMP8CA12CA1CA2 | |
| SCHEMBL9811847 | 0.70 | MMP8 (0.43) | MMP2MMP8MMP3CA12CA1 | |
| SCHEMBL2978566 | 0.70 | MMP1 (0.34) | MMP2MMP8MMP3CA12CA1 | |
| SCHEMBL29210833 | 0.68 | ENPP2 (0.30) | — | |
| SCHEMBL5196342 | 0.67 | — | — | |
| SCHEMBL13446712 | 0.67 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |