Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789145 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL30393807 | 0.98 | CYP1A2 (0.65) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL30393884 | 0.94 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL8977528 | 0.93 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL3784764 | 0.93 | CYP3A4 (0.59) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL25135225 | 0.91 | NCOA1 (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL3785409 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL25135228 | 0.88 | MAOB (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL7015396 | 0.85 | CYP3A4 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL29866044 | 0.85 | CYP3A4 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118388379-A | Organic total synthesis method of nimesulide derivative | 大连理工大学 | 2024-07-26 | — | — | CN | disclosed |