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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | CNR2 | P34972 | 7/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL16494135 | 0.93 | KDM4E (0.33) | HPGDCNR2MAPTLMNAHTT | |
| SCHEMBL16494730 | 0.91 | CNR2 (0.39) | PTGESALOX5CNR2MAPTTP53 | |
| SCHEMBL16494062 | 0.90 | HPGD (0.32) | PTGESALOX5HPGDALDH1A1GAA | |
| SCHEMBL352115 | 0.80 | CNR2 (0.36) | KCNA3PTGESALOX5CNR2ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL353958 | 0.72 | KCNH2 (0.45) | PTGESALOX5CNR2ALDH1A1GAA | |
| SCHEMBL5487203 | 0.71 | LTA4H (0.46) | CNR2MAPTTP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL353190 | 0.71 | CNR2 (0.43) | CNR2LMNAHTTALDH1A1GAA | |
| Iodide SCHEMBL352068 | 0.70 | KDM4E (0.37) | CNR2MAPTTP53LMNAHTT | |
| SCHEMBL14805202 | 0.69 | TOP1 (0.41) | HPGDMAPTPOLBALDH1A1KDM4E | |
| SCHEMBL354256 | 0.68 | INSR (0.33) | CNR2MAPTTP53LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2395055-A1 | FLUORESCENT SOLVATOCHROMIC PIGMENT | National University Corporation Hokkaido University (JP) | 2011-12-14 | — | — | EP | disclosed |