Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1403573 | 0.88 | SIGMAR1 (0.39) | ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4647603 | 0.87 | SIGMAR1 (0.38) | ALDH1A1KDM4E | |
| Bromide SCHEMBL28938863 | 0.87 | SIGMAR1 (0.38) | ALDH1A1KDM4E | |
| SCHEMBL28041594 | 0.85 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| Nitric Acid SCHEMBL28128886 | 0.83 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1MEN1CYP2D6 | |
| SCHEMBL31263708 | 0.83 | NR1I2 (0.32) | KMT2A | |
| SCHEMBL28041798 | 0.80 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| SCHEMBL29215162 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL31376096 | 0.75 | MAPK1 (0.42) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| SCHEMBL31249953 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115819911-B9 | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2024-05-17 | — | — | CN | claimed |
| CN-115819911-B | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2023-10-20 | — | — | CN | claimed |
| CN-115819911-A | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2023-03-21 | — | — | CN | claimed |
| CN-117624669-B | Ion gel film preparation method, chemical sensor and preparation method thereof | 同济大学 | 2024-11-12 | — | — | CN | disclosed |
| CN-115819911-B9 | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-117624669-A | Ion gel film preparation method, chemical sensor and preparation method thereof | 同济大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-115819911-B | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115819911-A | Ionic gel and preparation method thereof, and preparation method and application of ionic gel film | 同济大学 | 2023-03-21 | — | — | CN | disclosed |