Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL17674064 | 0.79 | PLCG1 (0.42) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL16124948 | 0.75 | CA2 (0.46) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL20590400 | 0.72 | PLCG1 (0.52) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL12674211 | 0.72 | MMP2 (0.47) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL17674087 | 0.72 | MMP2 (0.44) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL13813079 | 0.72 | MMP2 (0.47) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL9628601 | 0.68 | CA2 (0.52) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL24698628 | 0.68 | CA2 (0.65) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL5375 | 0.68 | PLCG1 (0.70) | CA2PLCG1CA12CA9CA1 | |
| SCHEMBL29025607 | 0.67 | CA2 (0.56) | CA2PLCG1CA12CA9CA1 |
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-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |