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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | STAT3 | P40763 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30486684 | 0.87 | ALDH1A1 (0.63) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| SCHEMBL422035 | 0.87 | ALDH1A1 (0.63) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Hydrochloric Acid SCHEMBL7361242 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Bromide SCHEMBL27763629 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Ammonia Solution, Strong SCHEMBL5802002 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Acetic Acid SCHEMBL28135349 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Acridine SCHEMBL8000372 | 0.83 | ALDH1A1 (0.65) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Acridine SCHEMBL28194753 | 0.83 | ALDH1A1 (0.65) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Carbamic Acid SCHEMBL28794006 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAHPGDSTAT3 | |
| Formamide SCHEMBL1839803 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAHPGDSTAT3 |
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-101106992-A | Novel quinolinium salts and derivatives | IMMUSOL INC (US) | 2008-01-16 | — | — | CN | disclosed |