Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.34 |
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | MMP8 | P22894 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.31 |
| ▸ | ANPEP | P15144 | 2/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.31 |
| ▸ | OTC | P00480 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | LAP3 | P28838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4311069 | 0.75 | CA4 (0.38) | CA1CA4ANPEPERAP2OTC | |
| SCHEMBL8460184 | 0.74 | TSHR (0.56) | CA12KDM4ELMNA | |
| SCHEMBL1412382 | 0.72 | — | — | |
| SCHEMBL8938063 | 0.72 | — | — | |
| SCHEMBL11161628 | 0.70 | — | — | |
| SCHEMBL9347080 | 0.69 | ALDH1A1 (0.37) | MMP1MMP2MMP8CA12CA1 | |
| Phosphoric Acid SCHEMBL28234963 | 0.68 | MMP2 (0.46) | MMP1MMP2MMP8CA12CA1 | |
| Butane SCHEMBL10802093 | 0.68 | MMP1 (0.42) | MMP1MMP2MMP8CA12CA1 | |
| SCHEMBL11598686 | 0.67 | — | — | |
| SCHEMBL27547151 | 0.67 | HCAR2 (0.36) | MMP1MMP2MMP8CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |