Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.51 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28388268 | 0.87 | RXFP1 (0.47) | KDM4EGAASLC9A1MMP3HDAC8 | |
| SCHEMBL69629 | 0.86 | ALDH1A1 (0.53) | MMP3HDAC8NR4A1NR4A2NR4A3 | |
| SCHEMBL8824112 | 0.86 | ALDH1A1 (0.53) | MMP3HDAC8NR4A1NR4A2NR4A3 | |
| SCHEMBL29903148 | 0.86 | ALDH1A1 (0.53) | MMP3HDAC8NR4A1NR4A2NR4A3 | |
| SCHEMBL29405063 | 0.86 | ALDH1A1 (0.53) | MMP3HDAC8NR4A1NR4A2NR4A3 | |
| Acetic Acid SCHEMBL27521004 | 0.85 | NR4A1 (0.50) | KDM4ESLC9A1MMP3HDAC8NR4A1 | |
| Methyl Alcohol SCHEMBL27338516 | 0.84 | ALDH1A1 (0.48) | MMP3HDAC8NR4A1NR4A2NR4A3 | |
| Formaldehyde SCHEMBL28028367 | 0.84 | ALDH1A1 (0.46) | SLC9A1MMP3HDAC8NR4A1NR4A2 | |
| Formaldehyde SCHEMBL27573587 | 0.84 | ALDH1A1 (0.46) | SLC9A1MMP3HDAC8NR4A1NR4A2 | |
| SCHEMBL9635910 | 0.84 | ALDH1A1 (0.50) | MMP3HDAC8PRNPCA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163236-B1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMA (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6476023-B1 | Aromatic heterocyclic compounds as anti-inflammatory agents | BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| EP-1163236-A1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-19 | — | — | EP | disclosed |
| US-6297381-B1 | INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-10-02 | — | — | US | disclosed |
| WO-2000055152-A1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |