Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19013345 | 1.00 | PAOX (0.50) | PAOXDRD2DRD4DRD3MMP1 | |
| SCHEMBL18544069 | 0.91 | PAOX (0.59) | PAOXDRD2DRD4DRD3CYP2C19 | |
| SCHEMBL2240590 | 0.87 | CA3 (0.42) | PAOXCYP2D6CYP2C19USP2TSHR | |
| SCHEMBL4555815 | 0.86 | PAOX (0.63) | PAOXDRD2DRD4DRD3MMP2 | |
| SCHEMBL22777259 | 0.84 | PAOX (0.67) | PAOXDRD2DRD4DRD3EPHX1 | |
| SCHEMBL43354 | 0.84 | — | — | |
| SCHEMBL17101301 | 0.82 | ALDH1A1 (0.54) | PAOXEPHX1TSHRADH1BADH1A | |
| SCHEMBL18544070 | 0.82 | PAOX (0.64) | PAOXDRD2DRD4DRD3EPHX1 | |
| SCHEMBL4840321 | 0.82 | — | — | |
| Propane SCHEMBL31494775 | 0.81 | MMP1 (0.48) | PAOXMMP1MMP2MMP3MMP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1991226-A2 | INHIBITORS OF HISTONE DEACETYLASE | Merck & Co., Inc. (US) | 2008-11-19 | — | — | EP | claimed |
| WO-2007100657-A2 | INHIBITORS OF HISTONE DEACETYLASE | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | claimed |
| EP-4342884-A1 | NITROGEN-CONTAINING COMPOUND, CONJUGATE CONTAINING SAID COMPOUND, AND APPLICATION THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2024-03-27 | — | — | EP | disclosed |