Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.60 |
| ▸ | PRKACA | P17612 | 2/20 | 0.60 |
| ▸ | PRKX | P51817 | 2/20 | 0.60 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | GSK3A | P49840 | 1/20 | 0.60 |
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | PLG | P00747 | 1/20 | 0.56 |
| ▸ | PLAU | P00749 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3038715 | 0.89 | MMP13 (0.72) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL3035661 | 0.86 | MMP13 (0.76) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL3454128 | 0.86 | MMP13 (0.56) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL4499094 | 0.85 | MMP13 (0.74) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL6195092 | 0.83 | MMP13 (0.74) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL5332068 | 0.83 | MMP13 (1.00) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL9416645 | 0.83 | MMP13 (0.94) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL31061610 | 0.83 | MMP13 (1.00) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL31396722 | 0.81 | MMP13 (0.75) | MMP13HPGDLMNAROCK1PRKACA | |
| SCHEMBL6658772 | 0.81 | MAPK14 (0.74) | MMP13HPGDLMNAROCK1PRKACA |
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-2205070-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045385-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |