Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5858034 | 1.00 | NR4A1 (0.51) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL5857387 | 0.83 | MAPT (0.58) | NR4A1NR4A2NR4A3CES1MAPT | |
| SCHEMBL5857393 | 0.83 | MAPT (0.58) | NR4A1NR4A2NR4A3CES1MAPT | |
| SCHEMBL10716767 | 0.81 | DEGS1 (0.46) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL15113893 | 0.80 | NFE2L2 (0.57) | CES1MAPTALDH1A1CES2CYP2C19 | |
| SCHEMBL691911 | 0.77 | NR4A2 (0.60) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL566351 | 0.77 | DEGS1 (0.53) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL566350 | 0.77 | DEGS1 (0.53) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL582234 | 0.77 | NR4A2 (0.60) | NR4A1NR4A2NR4A3CES1DEGS1 | |
| SCHEMBL1536443 | 0.77 | NR4A2 (0.60) | NR4A1NR4A2NR4A3CES1DEGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38963-E1 | Pyrazoline derivatives, their preparation and application as medicaments | LABORATORIOS DEL DR. ESTEVE (ES) | 2006-01-31 | — | — | US | disclosed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | disclosed |
| US-6353117-B1 | ANTIINFLAMMATORY ACTIVITY AND DISEASES IN WHICH CYCLOOXYGENASE-2 PLAYS A PART, WITHOUT HAVING THE GASTRIC AND RENAL TOXICITY OF THE CLASSIC NONSTEROIDAL ANTIINFLAMMATORY AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-03-05 | — | — | US | disclosed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | disclosed |