Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7218955 | 1.00 | TAS1R3 (0.39) | TAS1R3TAS1R1TAS1R2CHRNB2CHRNA4 | |
| SCHEMBL7124514 | 0.87 | ACKR3 (0.37) | TAS1R3TAS1R1TAS1R2CHRNB2CHRNA4 | |
| SCHEMBL7223878 | 0.86 | CHRNA7 (0.42) | CHRNB2CHRNA4CHRNA7PTPN1 | |
| SCHEMBL7128777 | 0.85 | PTPN1 (0.35) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 | |
| SCHEMBL7582167 | 0.85 | PTPN1 (0.35) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 | |
| SCHEMBL7225519 | 0.85 | PTPN1 (0.38) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 | |
| SCHEMBL7119650 | 0.84 | CHRNB2 (0.39) | TAS1R3TAS1R1TAS1R2CHRNB2CHRNA4 | |
| SCHEMBL7590680 | 0.84 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 | |
| SCHEMBL7121913 | 0.84 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 | |
| SCHEMBL7117126 | 0.83 | PTPN1 (0.49) | CHRNB2CHRNA4CHRNA7PTPN1PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002015662-A2 | QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | disclosed |