Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL970773 | 1.00 | CA12 (0.36) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL970849 | 0.87 | — | — | |
| SCHEMBL2176858 | 0.74 | — | — | |
| SCHEMBL1867666 | 0.73 | CA12 (0.34) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL1862557 | 0.73 | CA12 (0.34) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL6938204 | 0.73 | CA12 (0.34) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL1864715 | 0.71 | SMN1; SMN2 (0.34) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL1870239 | 0.69 | MMP1 (0.34) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL1864355 | 0.69 | ADRB2 (0.31) | — | |
| SCHEMBL2905442 | 0.69 | CYP3A4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | disclosed |