Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | IKBKB | O14920 | 3/20 | 0.41 |
| ▸ | RAF1 | P04049 | 3/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 3/20 | 0.41 |
| ▸ | AKT2 | P31751 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13545156 | 0.84 | HSP90AA1 (0.53) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL3668367 | 0.77 | LMNA (0.48) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6246765 | 0.76 | KMT2A (0.56) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL176731 | 0.76 | MEN1 (0.56) | MEN1NPC1RAB9AKMT2AATM | |
| Propionic Acid SCHEMBL11406300 | 0.75 | MEN1 (0.45) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL9411264 | 0.75 | MEN1 (0.45) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL1515148 | 0.74 | NPC1 (0.48) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL1515297 | 0.74 | L3MBTL1 (0.54) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL11120260 | 0.74 | TDP1 (0.50) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL12313013 | 0.74 | HSP90AA1 (0.50) | MEN1NPC1RAB9AKMT2AATM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009010296-A2 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CENTRE DE RECHERCHE PUBLIQUE SANTÉ (LU) | 2009-01-22 | — | — | WO | claimed |
| EP-2016954-A1 | Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof | Muller, Claude P. (LU) | 2009-01-21 | — | — | EP | claimed |
| CN-105241991-B | Analysis method capable of simultaneously splitting characteristic nitrosamine chiral molecules of tobacco | 贵州省烟草科学研究院 | 2017-04-19 | — | — | CN | disclosed |
| WO-2009010296-A3 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CT DE RECH PUBLIQUE SANTE (LU) | 2009-06-18 | — | — | WO | disclosed |
| WO-2009010296-A2 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CENTRE DE RECHERCHE PUBLIQUE SANTÉ (LU) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009010296-A2 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CENTRE DE RECHERCHE PUBLIQUE SANTÉ (LU) | 2009-01-22 | — | — | WO | disclosed |
| EP-2016954-A1 | Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof | Muller, Claude P. (LU) | 2009-01-21 | — | — | EP | disclosed |
| EP-2016954-A1 | Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof | Muller, Claude P. (LU) | 2009-01-21 | — | — | EP | disclosed |