Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2514806 | 0.84 | ALDH1A1 (0.62) | MMP2MMP1MMP13CA1CA2 | |
| SCHEMBL2372012 | 0.83 | KDM4E (0.61) | NAAAMMP2MMP1MMP13CA1 | |
| SCHEMBL9228437 | 0.79 | ALDH1A1 (0.71) | ALDH1A1GAALMNAKDM4ERECQL | |
| Bicarbonate SCHEMBL15225613 | 0.74 | GLA (0.68) | MMP2MMP1MMP13MMP3MMP7 | |
| SCHEMBL1722712 | 0.73 | MMP2 (0.61) | NAAAMMP2MMP1MMP13MMP3 | |
| SCHEMBL12792927 | 0.72 | ALDH1A1 (0.68) | ALDH1A1LMNARECQLSMN1; SMN2PKM | |
| SCHEMBL4504408 | 0.72 | REN (0.53) | NAAAMMP2MMP1MMP13MMP3 | |
| SCHEMBL4504406 | 0.72 | REN (0.53) | NAAAMMP2MMP1MMP13MMP3 | |
| SCHEMBL2788247 | 0.72 | CA1 (0.70) | MMP2MMP1MMP13CA1CA2 | |
| SCHEMBL21561170 | 0.71 | NAAA (1.00) | NAAACA1CA2CA12CA9 |
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-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |