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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | GUSB | P08236 | 2/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30298750 | 1.00 | CA1 (0.35) | CA1CA2GUSBEBPSIGMAR1 | |
| SCHEMBL28271612 | 0.93 | GBA1 (0.31) | CA1CA2GBA1TSHR | |
| Octane SCHEMBL28171886 | 0.92 | RECQL (0.33) | CA1CA2GUSBEBPSIGMAR1 | |
| SCHEMBL28472923 | 0.89 | RECQL (0.37) | GUSBEBPSIGMAR1GBA1PTGS1 | |
| Sulfuric Acid SCHEMBL4247477 | 0.88 | GBA1 (0.32) | GBA1TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL30298740 | 0.88 | EPHX1 (0.37) | GUSBEBPSIGMAR1FAAHEPHX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28576066 | 0.88 | EPHX1 (0.37) | GUSBEBPSIGMAR1FAAHEPHX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL30298714 | 0.88 | EPHX1 (0.37) | GUSBEBPSIGMAR1FAAHEPHX1 | |
| SCHEMBL372254 | 0.88 | EBP (0.37) | GUSBEBPSIGMAR1PTGS1PTGS2 | |
| SCHEMBL5283117 | 0.88 | EBP (0.37) | GUSBEBPSIGMAR1PTGS1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109860392-B | Organic solar cell with functionalized graphene quantum dots as electron transport layer and preparation method thereof | 桂林电子科技大学 | 2023-04-07 | — | — | CN | disclosed |