Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.84 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28234444 | 0.92 | ALDH1A1 (0.84) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL29358072 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL27687010 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL55127 | 0.92 | — | — | |
| SCHEMBL27414956 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Bromide SCHEMBL9617826 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL27718978 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL30311517 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL7049723 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrogen Sulfide SCHEMBL27781949 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1L3MBTL1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1105856-A | Smoking suppressant and method of use thereof | RONALD S NIETUPSKI (US) | 1995-08-02 | — | — | CN | claimed |
| EP-0625352-A1 | Use of Z-acetylpyridine for the manufacture of a medicament for suppressing smoking | Nietupski, Ronald S. (US) | 1994-11-23 | — | — | EP | claimed |
| US-5336680-A | Inhalation of 2-acetylpyridine in propyleneglycol solvent | NIETUPSKI RONALD S (US) | 1994-08-09 | — | — | US | claimed |