Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.65 |
| ▸ | TNF | P01375 | 3/20 | 0.65 |
| ▸ | IL6 | P05231 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 4/20 | 0.52 |
| ▸ | XDH | P47989 | 2/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031997 | 0.85 | TNF (0.69) | CYP24A1TNFIL6GAAMEN1 | |
| SCHEMBL28031993 | 0.85 | TNF (0.69) | CYP24A1TNFIL6GAAMEN1 | |
| SCHEMBL28031477 | 0.81 | TNF (0.64) | CYP24A1TNFIL6ALDH1A1KMT2A | |
| SCHEMBL28031446 | 0.81 | TNF (0.64) | CYP24A1TNFIL6ALDH1A1KMT2A | |
| SCHEMBL28005280 | 0.79 | ALDH1A1 (0.54) | GAAMEN1ALDH1A1KMT2AEGFR | |
| SCHEMBL14119823 | 0.75 | TNF (1.00) | CYP24A1TNFIL6GAAMEN1 | |
| SCHEMBL14119825 | 0.75 | TNF (1.00) | CYP24A1TNFIL6GAAMEN1 | |
| SCHEMBL28032416 | 0.74 | ALDH1A1 (0.56) | CYP24A1TNFIL6GAAMEN1 | |
| SCHEMBL17077376 | 0.73 | EGFR (0.90) | GAAMEN1ALDH1A1KMT2AEGFR | |
| SCHEMBL17077375 | 0.73 | EGFR (0.90) | GAAMEN1ALDH1A1KMT2AEGFR |
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-104829440-A | Single-side trifluoromethyl-substituted dibenzylalkenyl cyclopentanone capable of treating acute lung injury and like inflammatory diseases | UNIV WENZHOU MEDICAL | 2015-08-12 | — | — | CN | claimed |