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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | ELANE | P08246 | 2/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.48 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.37 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.37 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.37 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL811054 | 0.94 | PKM (0.58) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL6935157 | 0.85 | CXCR2 (0.47) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL822779 | 0.85 | PKM (0.50) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL28028096 | 0.83 | PKM (0.47) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL20537130 | 0.83 | CXCR2 (0.48) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL19564840 | 0.80 | HTT (0.59) | PKMGAAELANECXCR2CXCR1 | |
| SCHEMBL20924560 | 0.80 | PKM (0.68) | PKMGAACXCR2HSD11B1RAPGEF4 | |
| SCHEMBL3671604 | 0.80 | HTT (0.53) | PKMELANECXCR2HSD11B1POLB | |
| SCHEMBL4150360 | 0.80 | HTR6 (0.54) | PKMELANECXCR2HSD11B1POLB | |
| SCHEMBL11700896 | 0.78 | CXCR2 (0.49) | CXCR2CXCR1ENPP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105137508-B | Compound, optical material and optical element used for optical elements | 佳能株式会社 | 2019-11-08 | — | — | CN | disclosed |
| CN-105137508-A | ACRYLATE COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT | CANON KK | 2015-12-09 | — | — | CN | disclosed |
| CN-102260201-B | Compound for optical element, optical material, and optical element | CANON KABUSHIKI KAISHA (JP) | 2015-10-14 | — | — | CN | disclosed |