Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 6/20 | 0.66 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.66 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.66 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.66 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.66 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.66 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.66 |
| ▸ | HTR3B | O95264 | 1/20 | 0.66 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.66 |
| ▸ | CHRNG | P07510 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103329 | 0.95 | CHRNA7 (0.67) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL4827801 | 0.94 | CHRNA7 (0.65) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL2390652 | 0.81 | ALDH1A1 (0.97) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL30339296 | 0.80 | ALDH1A1 (0.94) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL676683 | 0.80 | ALDH1A1 (0.94) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL1724652 | 0.80 | ALDH1A1 (1.00) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| Nicotine SCHEMBL2599622 | 0.80 | ALDH1A1 (1.00) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| (+/-)Nicotine SCHEMBL11976729 | 0.80 | ALDH1A1 (1.00) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| Nicotine SCHEMBL4729900 | 0.80 | ALDH1A1 (1.00) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 | |
| R-Nicotine SCHEMBL20518 | 0.80 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003500402-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |