Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.61 |
| ▸ | CTSB | P07858 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP7 | P09237 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | MMP12 | P39900 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 1/20 | 0.56 |
| ▸ | MME | P08473 | 2/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28869568 | 1.00 | NOS2 (0.61) | NOS2CTSBPPARGMMP2MMP7 | |
| SCHEMBL12761017 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL10652157 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL10652151 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL10725101 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL12761015 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL10725102 | 0.87 | NOS2 (0.78) | NOS2PPARGMMP2MMP9MME | |
| SCHEMBL28328277 | 0.86 | NOS2 (0.63) | NOS2PPARGMMP2MMP7MMP9 | |
| SCHEMBL28328274 | 0.86 | NOS2 (0.63) | NOS2PPARGMMP2MMP7MMP9 | |
| SCHEMBL25286773 | 0.85 | TDP1 (0.60) | NOS2PPARGMMENOS3NOS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108676068-B | Anti-inflammatory drug compound and preparation method thereof | 厦门东风精准医药科技有限公司 | 2022-09-23 | — | — | CN | claimed |
| CN-108676068-B | Anti-inflammatory drug compound and preparation method thereof | 厦门东风精准医药科技有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-108676068-B | Anti-inflammatory drug compound and preparation method thereof | 厦门东风精准医药科技有限公司 | 2022-09-23 | — | — | CN | disclosed |