Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CHRNG | P07510 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13379894 | 0.80 | SLC18A3 (0.54) | ALDH1A1 | |
| SCHEMBL4397664 | 0.79 | CYP11B2 (0.62) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL29351735 | 0.79 | CYP11B2 (0.62) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL990213 | 0.76 | — | — | |
| SCHEMBL29848157 | 0.76 | — | — | |
| SCHEMBL19049365 | 0.76 | HSD11B1 (0.56) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL6985572 | 0.76 | CYP11B2 (0.62) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL1721056 | 0.75 | CYP11B2 (0.67) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL1722639 | 0.75 | CYP11B2 (0.67) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL1721054 | 0.75 | CYP11B2 (0.67) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7700591-B2 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO., INC. (US) | 2010-04-20 | — | — | US | disclosed |