Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.61 |
| ▸ | CA1 | P00915 | 11/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | GLA | P06280 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | CFTR | P13569 | 1/20 | 0.61 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | PDE5A | O76074 | 1/20 | 0.58 |
| ▸ | CDC42 | P60953 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5857997 | 0.90 | CA1 (0.57) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL27515191 | 0.87 | L3MBTL1 (0.53) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL5857979 | 0.87 | PTGS2 (0.69) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL5856375 | 0.86 | CA1 (0.66) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| Methyl Benzoate SCHEMBL27678452 | 0.81 | PTGS2 (0.61) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL5856374 | 0.80 | PTGS2 (0.52) | CA2CA1PTGS2PDE5AACHE | |
| SCHEMBL5857615 | 0.79 | CA1 (0.64) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL27494872 | 0.78 | PTGS2 (0.48) | L3MBTL1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL6227020 | 0.77 | CA1 (0.63) | CA2CA1L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL5856684 | 0.77 | CA1 (0.60) | CA2CA1L3MBTL1KDM4EALDH1A1 |
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 6 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 | claimed |
| CN-1189459-C | Pyrazoline derivatives, process for their preparation and their use as medicaments | ESTEVE LABOR DR (ES) | 2005-02-16 | — | — | CN | claimed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | claimed |
| 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 | claimed |
| CN-1307566-A | Pyrazoline derivatives, their prep. and application as medicaments | ESTEVE LABOR DR (ES) | 2001-08-08 | — | — | CN | claimed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | claimed |