Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.58 |
| ▸ | FBP1 | P09467 | 3/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.51 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | TEAD4 | Q15561 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21068139 | 1.00 | MPO (0.61) | MPOAKR1C3AKR1C2FBP1AKR1B1 | |
| SCHEMBL21068140 | 1.00 | MPO (0.61) | MPOAKR1C3AKR1C2FBP1AKR1B1 | |
| SCHEMBL21068136 | 0.83 | MPO (0.71) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| SCHEMBL31207342 | 0.83 | MPO (0.71) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| SCHEMBL7325216 | 0.81 | MPO (0.83) | MPOAKR1C3AKR1C2FBP1AKR1B1 | |
| SCHEMBL23691075 | 0.77 | MPO (0.76) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| SCHEMBL1688342 | 0.76 | MPO (1.00) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| Flufenamic Acid SCHEMBL29356958 | 0.75 | RXFP1 (0.75) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| Flufenamic Acid SCHEMBL17497 | 0.75 | RXFP1 (0.75) | MPOAKR1C3AKR1C2GRIK1RXFP1 | |
| SCHEMBL30592090 | 0.75 | FBP1 (1.00) | FBP1MEN1KMT2A |
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-111655665-B | Nitroolefin non-steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation-related disorders | 蒙得维的亚巴斯德研究所 | 2024-11-15 | — | — | CN | disclosed |