Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.65 |
| ▸ | CA1 | P00915 | 7/20 | 0.63 |
| ▸ | CA2 | P00918 | 7/20 | 0.63 |
| ▸ | CA7 | P43166 | 7/20 | 0.63 |
| ▸ | CA9 | Q16790 | 6/20 | 0.63 |
| ▸ | CA12 | O43570 | 2/20 | 0.63 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.53 |
| ▸ | CPT2 | P23786 | 1/20 | 0.46 |
| ▸ | CPT1A | P50416 | 1/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20681402 | 1.00 | ESR1 (0.65) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL2993408 | 0.89 | ESR1 (0.68) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL11477876 | 0.88 | ESR1 (0.67) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL490066 | 0.87 | ESR1 (0.65) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL8277232 | 0.87 | ESR1 (0.65) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL30408119 | 0.87 | ESR1 (0.65) | ESR1ESR2CA1CA2CA7 | |
| Dimethylamine SCHEMBL6529354 | 0.85 | ESR1 (0.62) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL4231312 | 0.84 | ESR2 (0.68) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL6297841 | 0.84 | ESR1 (0.61) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL10154278 | 0.84 | ESR1 (0.61) | ESR1ESR2CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4349820-A2 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | Novartis AG (CH) | 2024-04-10 | — | — | EP | disclosed |
| EP-3658539-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2024-02-21 | — | — | EP | disclosed |
| EP-3880659-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2024-01-03 | — | — | EP | disclosed |