Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3424706 | 0.81 | MAOB (0.46) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL148999 | 0.80 | MAOB (0.50) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL5455161 | 0.80 | MAOB (0.50) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL7383082 | 0.78 | CYP1A2 (0.50) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| (Z)-1,2-Diphenylethene SCHEMBL1892117 | 0.76 | MAOB (0.58) | MAOBALDH1A1TRPA1NFE2L2CYP19A1 | |
| SCHEMBL7379006 | 0.76 | CYP1A2 (0.48) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL18320470 | 0.76 | MAOB (0.46) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL13420202 | 0.76 | CYP1A2 (0.48) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL7381054 | 0.76 | CYP1A2 (0.48) | CYP1A2MAOBALDH1A1LMNATRPA1 | |
| SCHEMBL10574618 | 0.76 | MAOB (0.46) | CYP1A2MAOBLMNATRPA1MAPK1 |
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-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |