Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.61 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.61 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.61 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.61 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | HTR3B | O95264 | 1/20 | 0.61 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.61 |
| ▸ | CHRNG | P07510 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2603268 | 0.85 | CHRNA7 (0.66) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL12643806 | 0.85 | CHRNA7 (0.66) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL10624740 | 0.85 | CHRNA7 (0.61) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL12644333 | 0.85 | CHRNA7 (0.66) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL27909465 | 0.81 | ALDH1A1 (0.88) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL2603302 | 0.81 | CHRNB2 (0.67) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL4478260 | 0.77 | ALDH1A1 (0.53) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL9674318 | 0.77 | CHRNA7 (0.56) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL23181386 | 0.76 | CHRNA7 (0.67) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| Nicotine SCHEMBL2599622 | 0.76 | ALDH1A1 (1.00) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 |
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-5154738-A | Passing mixture through gas chromatography column having dialkyl trifluoroacyl ether derivative of cyclodextrin, eluting separated compounds | ADVANCED SEPARATION TECHNOLOGIES, INC. (US) | 1992-10-13 | — | — | US | disclosed |