Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL23958619 | 1.00 | CFTR (0.41) | CFTRPTPN1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL23958823 | 0.81 | MMP13 (0.42) | CFTRALDH1A1L3MBTL1LMNACNR1 | |
| SCHEMBL25689048 | 0.79 | CFTR (0.37) | CFTRALDH1A1L3MBTL1LMNAFPR2 | |
| SCHEMBL23958693 | 0.77 | CFTR (0.40) | CFTRALDH1A1L3MBTL1FPR2SCN9A | |
| SCHEMBL23958650 | 0.77 | ALDH1A1 (0.41) | CFTRALDH1A1L3MBTL1LMNANPC1 | |
| SCHEMBL28909138 | 0.77 | CFTR (0.34) | CFTRALDH1A1L3MBTL1LMNAFPR2 | |
| SCHEMBL25686910 | 0.76 | CFTR (0.35) | CFTRALDH1A1L3MBTL1LMNAFPR2 | |
| SCHEMBL26727261 | 0.75 | CFTR (0.34) | CFTRCNR2CNR1MAPK14 | |
| SCHEMBL23930265 | 0.74 | ADORA2A (0.40) | CFTRALDH1A1L3MBTL1CNR2CNR1 | |
| SCHEMBL23958718 | 0.74 | CNR1 (0.44) | CNR1KDM4EDHODH |
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-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |