Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.61 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | CCR5 | P51681 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22767607 | 0.89 | CHRNA7 (0.73) | CHRNA7CHRNB2CHRNA4CCR5 | |
| SCHEMBL15429134 | 0.87 | CHRNB2 (0.74) | CHRNA7CHRNB2CHRNA4CCR5LMNA | |
| SCHEMBL14951084 | 0.81 | CHRNB2 (0.67) | CHRNA7CHRNB2CHRNA4CCR5 | |
| SCHEMBL12682791 | 0.79 | CHRNB2 (0.65) | CHRNA7CHRNB2CHRNA4CCR5LMNA | |
| SCHEMBL6767869 | 0.79 | CHRNA7 (0.61) | CHRNA7CHRNB2CHRNA4CCR5 | |
| SCHEMBL3681307 | 0.78 | CHRNA7 (0.60) | CHRNA7CHRNB2CHRNA4CCR5 | |
| SCHEMBL20017818 | 0.78 | CHRNB2 (0.62) | CHRNA7CHRNB2CHRNA4LOXL2CCR5 | |
| Water SCHEMBL3683454 | 0.77 | CHRNA7 (0.58) | CHRNA7CHRNB2CHRNA4CCR5 | |
| Hydrochloric Acid SCHEMBL2458828 | 0.77 | CHRNA7 (0.58) | CHRNA7CHRNB2CHRNA4CCR5 | |
| SCHEMBL10256901 | 0.77 | CHRNB2 (0.61) | CHRNA7CHRNB2CHRNA4CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | claimed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | claimed |