Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.59 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17767834 | 0.84 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24238979 | 0.84 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL29295387 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL4294175 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2089824 | 0.81 | CHRNA7 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11148385 | 0.80 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22473390 | 0.77 | RIPK1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22473388 | 0.77 | RIPK1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25053192 | 0.77 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22473394 | 0.77 | RIPK1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |