Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 8/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162931 | 1.00 | CFTR (0.39) | CFTRCA12CA1CA2CA9 | |
| SCHEMBL30036829 | 0.78 | KDR (0.59) | CFTRLCKSRCKDRTEK | |
| SCHEMBL20162613 | 0.78 | KDR (0.59) | CFTRLCKSRCKDRTEK | |
| SCHEMBL3715556 | 0.73 | CA12 (0.50) | CA12CA1CA2CA9ADORA2A | |
| SCHEMBL20162762 | 0.69 | CA12 (0.46) | CA12CA1CA2CA9ADORA2A | |
| SCHEMBL20182219 | 0.69 | CA12 (0.37) | CA12CA1CA2CA9ADORA2A | |
| SCHEMBL13145592 | 0.68 | NOTUM (0.54) | CFTRCA12CA9NOTUMADORA1 | |
| SCHEMBL7005305 | 0.66 | ALDH1A1 (0.44) | CA12CA1CA2CA9ADORA2A | |
| SCHEMBL20282384 | 0.66 | NOTUM (0.55) | CFTRCA12CA9NOTUMADORA1 | |
| SCHEMBL6250271 | 0.62 | SRC (0.47) | CA12CA1CA2CA9ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115850268-A | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会 | 2023-03-28 | — | — | CN | disclosed |
| CN-110337294-B | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会 | 2022-11-01 | — | — | CN | disclosed |