Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6194699 | 0.79 | MIF (0.44) | ADRB2BRD4HTTTSHRMAPK1 | |
| SCHEMBL6194706 | 0.79 | MIF (0.44) | ADRB2BRD4HTTTSHRMAPK1 | |
| SCHEMBL13594117 | 0.78 | MIF (0.57) | MIFLMNAAOC3 | |
| SCHEMBL9921621 | 0.78 | MIF (0.57) | MIFLMNAAOC3 | |
| SCHEMBL28396816 | 0.76 | ADRB2 (0.38) | ADRB2BRD4HTTTSHRMAPK1 | |
| SCHEMBL18900318 | 0.72 | PSEN1 (0.36) | HTTTSHRTDP1LMNATP53 | |
| SCHEMBL13862158 | 0.72 | GABRA1 (0.34) | TSHRSLC6A4SLC6A3SLC6A2LMNA | |
| SCHEMBL10609419 | 0.71 | ADRB2 (0.44) | ADRB2BRD4HTTTSHRMAPK1 | |
| SCHEMBL5241824 | 0.70 | ADRB2 (0.48) | ADRB2BRD4TSHRMAPK1HIF1A | |
| SCHEMBL8239806 | 0.70 | ADRB2 (0.48) | ADRB2TSHRMAPK1HIF1ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3004108-B1 | PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2017-10-18 | — | — | EP | disclosed |