Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537149 | 0.94 | DPP4 (0.41) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL9537159 | 0.94 | DPP4 (0.41) | CA12CA1CA9MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL9439468 | 0.92 | DPP4 (0.40) | CA12CA1CA9MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL9439130 | 0.92 | DPP4 (0.40) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL19981940 | 0.88 | DPP4 (0.44) | CA12CA1CA9DPP4DPP8 | |
| SCHEMBL9875218 | 0.83 | CA12 (0.48) | CA12CA1CA9MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL9823328 | 0.81 | DPP4 (0.51) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL6032973 | 0.79 | CA1 (0.52) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL1619585 | 0.79 | DPP4 (0.47) | MMP1MMP2MMP3MMP8DPP4 | |
| SCHEMBL1619583 | 0.79 | DPP4 (0.47) | MMP1MMP2MMP3MMP8DPP4 |
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-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |