Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20472385 | 0.81 | CHRNB4 (0.56) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9414382 | 0.79 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9414384 | 0.79 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| Cyanide SCHEMBL27779021 | 0.78 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL29095835 | 0.77 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL16787378 | 0.77 | CHRNB4 (0.46) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| Cyanide SCHEMBL28015875 | 0.76 | CHRNB4 (0.42) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL14836321 | 0.76 | CHRNB4 (0.45) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL14836320 | 0.76 | CHRNB4 (0.45) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9385424 | 0.76 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 |
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-104703980-B | Belong to the orexin receptor antagonists of [adjacent double (miscellaneous) aryl] [base of 2 (double (miscellaneous) aryl) pyrrolidines 1] ketone derivatives | 埃科特莱茵药品有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-104703980-A | Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero )aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD | 2015-06-10 | — | — | CN | disclosed |