Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.52 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9173189 | 0.88 | FFAR1 (0.53) | KEAP1FFAR1HTR2APTGER1PTGER4 | |
| SCHEMBL11633504 | 0.88 | FFAR1 (0.51) | KEAP1FFAR1HTR2APLA2G4AFFAR4 | |
| SCHEMBL59198 | 0.87 | KEAP1 (0.65) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL6505817 | 0.85 | HTR2A (0.58) | KEAP1FFAR1HTR2AHDAC3MAPK1 | |
| SCHEMBL9785808 | 0.84 | FFAR1 (0.55) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL9566135 | 0.82 | CYP4F2 (0.53) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL9179978 | 0.82 | CA1 (0.46) | KEAP1FFAR1PTGER1PTGER4PTGER3 | |
| SCHEMBL17940787 | 0.82 | HTR2A (0.50) | KEAP1FFAR1HTR2AHDAC3MAPK1 | |
| SCHEMBL19140662 | 0.82 | FOLH1 (0.60) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL9487508 | 0.81 | MAPT (0.72) | KEAP1FFAR1HDAC3MAPK1ADRA1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107602406-B | Preparation method and content control method in racecadotril as two kinds of impurity of external standard | 陕西汉江药业集团股份有限公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-106833773-B | M20 methanol gasoline modified alcohol additives | 甘肃桑田清洁能源开发有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-107602406-A | In racecadotril as external standard two kinds of impurity preparation method and content control method | 陕西汉江药业集团股份有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-106833773-A | M20 methanol gasoline modified alcohol additives | 甘肃桑田清洁能源开发有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-102791674-B | Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure | 日立化成株式会社 | 2017-05-17 | — | — | CN | disclosed |
| CN-1126438-A | Method of combating acyclovir-resistant herpes simplex viral infections | BIO MEGA BOEHRINGER INGELHEIM (CA) | 1996-07-10 | — | — | CN | disclosed |