Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4660995 | 0.98 | LMNA (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| SCHEMBL5930195 | 0.98 | LMNA (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| SCHEMBL4188080 | 0.94 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| Acetonitrile SCHEMBL28873532 | 0.91 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| Methyl Alcohol SCHEMBL27883438 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| SCHEMBL22005040 | 0.89 | KDM4E (0.44) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL9968957 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19MEN1LMNA | |
| SCHEMBL22005008 | 0.87 | NPC1 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| SCHEMBL6651604 | 0.85 | CYP1A2 (0.63) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 | |
| SCHEMBL30096940 | 0.85 | CYP1A2 (0.63) | CYP1A2CYP2C9CYP2C19CYP3A4MEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109748813-A | A kind of synthetic method improvement of dencichine | 西安格硕信息科技有限公司 | 2019-05-14 | — | — | CN | claimed |
| CN-108218735-A | The preparation method of 1,4- aminoalcohol derivatives | 陕西师范大学 | 2018-06-29 | — | — | CN | claimed |
| CN-110520127-A | Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | TAKEDA PHARMACEUTICALS CO | 2019-11-29 | — | — | CN | disclosed |
| CN-107428759-A | 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents | 拜耳作物科学股份公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-104945309-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-09-30 | — | — | CN | disclosed |
| CN-102076342-B | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-06-10 | — | — | CN | disclosed |
| CN-102076342-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2011-05-25 | — | — | CN | disclosed |
| CN-100408539-C | Vitamin d receptor modulators | LILLY CO ELI (US) | 2008-08-06 | — | — | CN | disclosed |
| CN-1714070-A | Vitamin d receptor modulators | LILLY CO ELI (US) | 2005-12-28 | — | — | CN | disclosed |
| US-5180417-A | 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses | DOWELANCO (US) | 1993-01-19 | — | — | US | disclosed |
| US-5032168-A | 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses | DOWELANCO (US) | 1991-07-16 | — | — | US | disclosed |