Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487074 | 0.90 | TSHR (0.44) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL27975187 | 0.87 | L3MBTL1 (0.40) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL29179965 | 0.86 | L3MBTL1 (0.40) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL28489606 | 0.86 | L3MBTL1 (0.40) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL17232934 | 0.85 | L3MBTL1 (0.37) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28357591 | 0.80 | KMT2A (0.38) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL28367333 | 0.80 | TSHR (0.50) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL16570039 | 0.79 | L3MBTL1 (0.39) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL31366372 | 0.78 | TP53 (0.39) | TSHRKDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL28831793 | 0.78 | LMNA (0.41) | TSHRKDM4EL3MBTL1MAPTALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117327034-A | Method for preparing 5-hydroxymethylfurfural by catalyzing passion fruit shells through sulfonated ionic liquid | 集美大学 | 2024-01-02 | — | — | CN | claimed |
| CN-116655566-A | Method for synthesizing 2, 5-furandicarboxylic acid by one step through 2, 5-furandicarboxaldehyde without participation of oxygen | 河北工业大学 | 2023-08-29 | — | — | CN | claimed |
| CN-116178315-A | Method for efficiently converting chitosan into 5-hydroxymethylfurfural by using sulfonated ionic liquid | 集美大学 | 2023-05-30 | — | — | CN | claimed |
| CN-116655566-B | Method for synthesizing 2, 5-furandicarboxylic acid by one step through 2, 5-furandicarboxaldehyde without participation of oxygen | 河北工业大学 | 2024-09-27 | — | — | CN | disclosed |
| CN-117327034-A | Method for preparing 5-hydroxymethylfurfural by catalyzing passion fruit shells through sulfonated ionic liquid | 集美大学 | 2024-01-02 | — | — | CN | disclosed |
| CN-113416136-B | Application of acidic ionic liquid in catalyzing reaction of cinnamic acid and benzyl alcohol to prepare benzyl cinnamate and method for preparing benzyl cinnamate | 河南工业大学 | 2023-12-22 | — | — | CN | disclosed |
| CN-116082540-B | Synthesis process of low-volatile odorless polyvinyl butyral resin powder | 江苏奥天利新材料有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-114849786-B | Imidazole sulfonic acid ionic liquid-based palladium phosphine complex catalyst for synthesizing methyl propionate through ethylene hydro-methyl esterification | 中国科学院过程工程研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-116655566-A | Method for synthesizing 2, 5-furandicarboxylic acid by one step through 2, 5-furandicarboxaldehyde without participation of oxygen | 河北工业大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-116178315-A | Method for efficiently converting chitosan into 5-hydroxymethylfurfural by using sulfonated ionic liquid | 集美大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-116082540-A | Synthesis process of low-volatile odorless polyvinyl butyral resin powder | 江苏奥天利新材料有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-114849786-A | Imidazole sulfonic acid ionic liquid based palladium-phosphine complex catalyst for synthesizing methyl propionate by ethylene methyl hydrogen esterification | 中国科学院过程工程研究所 | 2022-08-05 | — | — | CN | disclosed |