Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Nimesulide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.97 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.97 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.97 |
| ▸ | CYP19A1 | P11511 | 18/20 | 0.97 |
| ▸ | MEN1 | O00255 | 2/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.97 |
| ▸ | MAPT | P10636 | 2/20 | 0.97 |
| ▸ | TSHR | P16473 | 2/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.97 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.97 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.97 |
| ▸ | MLNR | O43193 | 1/20 | 0.97 |
| ▸ | LMNA | P02545 | 1/20 | 0.97 |
| ▸ | MMP1 | P03956 | 1/20 | 0.97 |
| ▸ | MPO | P05164 | 1/20 | 0.97 |
| ▸ | GLA | P06280 | 1/20 | 0.97 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.97 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.97 |
| ▸ | HPGD | P15428 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Nimesulide SCHEMBL24882 | 0.99 | CYP19A1 (1.00) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL4796058 | 0.99 | CYP19A1 (1.00) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL29393272 | 0.99 | CYP19A1 (1.00) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL10381405 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL11790433 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL25233223 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL3367706 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL3120335 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL29106069 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT | |
| Nimesulide SCHEMBL3120345 | 0.97 | CYP19A1 (0.97) | CYP19A1MEN1CYP1A2CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010038240-A9 | PHARMACEUTICAL COMPOSITION COMPRISING NIMESULIDE AND LEVOCETIRIZINE | PANACEA BIOTEC LIMITED (IN) | 2010-06-03 | — | — | WO | disclosed |
| WO-2010038240-A1 | PHARMACEUTICAL COMPOSITION COMPRISING NIMESULIDE AND LEVOCETIRIZINE | PANACEA BIOTEC LIMITED (IN) | 2010-04-08 | — | — | WO | disclosed |
| EP-1005865-B1 | A anti-allergy anti-inflammatory composition comprising nimesulide and cetirizine | PANACEA BIOTEC LTD (IN) | 2003-11-19 | — | — | EP | disclosed |
| US-6258816-B1 | NIMESULIDE AND CETIRIZINE FOR ANTILEUKOTRIENE OR ANTIALLERGENS | PANACEA BIOTEC LIMITED (IN) | 2001-07-10 | — | — | US | disclosed |
| EP-1005865-A1 | A anti-allergy anti-inflammatory composition comprising nimesulide and cetirizine | Panacea Biotec Limited (IN) | 2000-06-07 | — | — | EP | disclosed |