Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5057415 | 0.84 | ALDH1A1 (0.46) | CES2CES1KDM4E | |
| SCHEMBL11461692 | 0.84 | MAPT (0.43) | CES2CES1PTPN1KDM4EHTT | |
| SCHEMBL21837346 | 0.84 | HDAC1 (0.53) | SRD5A2EPHX2HTTKMT2A | |
| SCHEMBL24534568 | 0.83 | NPC1 (0.49) | CES2CES1TRPV1SRD5A2PTPN1 | |
| SCHEMBL4224773 | 0.83 | CES2 (0.48) | CES2CES1TRPV1SRD5A2PTPN1 | |
| SCHEMBL4020790 | 0.82 | CES2 (0.52) | CES2 | |
| SCHEMBL10441841 | 0.81 | CES2 (0.67) | CES2CES1TRPV1SRD5A2PTPN1 | |
| SCHEMBL840765 | 0.81 | NPSR1 (0.54) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL19746355 | 0.80 | NPSR1 (0.57) | CES2SRD5A2MAOBHTTKMT2A | |
| SCHEMBL28587857 | 0.79 | CES2 (0.57) | CES2CES1TRPV1SRD5A2PTPN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115537194-A | Ligand modified quantum dot, quantum dot film, preparation method of quantum dot film and light-emitting device | TCL科技集团股份有限公司 | 2022-12-30 | — | — | CN | claimed |
| US-5352820-A | Expedient route to aryl propenoic esters | AMERICAN CYANAMID COMPANY | 1994-10-04 | — | — | US | claimed |
| CN-113509961-B | Application of chitosan/cellulose composite microsphere immobilized copper in preparation of allylsilane compound | 湖北工程学院 | 2023-05-23 | — | — | CN | disclosed |
| CN-115537194-A | Ligand modified quantum dot, quantum dot film, preparation method of quantum dot film and light-emitting device | TCL科技集团股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| US-5352820-A | Expedient route to aryl propenoic esters | AMERICAN CYANAMID COMPANY | 1994-10-04 | — | — | US | disclosed |