Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27909079 | 0.81 | JUN (0.44) | ERN1PTGS2PTGS1LMNAABCG2 | |
| SCHEMBL27926949 | 0.77 | TDP1 (0.50) | PTGS2PTGS1 | |
| SCHEMBL22596690 | 0.68 | ALDH1A1 (0.44) | LMNA | |
| SCHEMBL230404 | 0.66 | HTR3E (0.53) | LMNA | |
| SCHEMBL27909088 | 0.66 | TRPA1 (0.39) | LMNA | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 | 0.65 | ERN1 (0.75) | ERN1LMNAABCG2 | |
| SCHEMBL28787276 | 0.65 | HSD11B1 (0.56) | LMNA | |
| SCHEMBL27926952 | 0.65 | CYP2A6 (0.47) | PTGS2PTGS1LMNA | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 | 0.65 | ERN1 (0.74) | ERN1LMNAABCG2 | |
| SCHEMBL30790747 | 0.64 | HRH3 (0.53) | — |
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-103181922-A | Application of piperidone-containing single-carbonyl curcumin compound in preparation of anti-inflammatory drug | WENZHOU MEDICAL COLLEGE | 2013-07-03 | — | — | CN | disclosed |