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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29635663 | 0.85 | — | — | |
| SCHEMBL364 | 0.85 | — | — | |
| Dimethylamine SCHEMBL28560259 | 0.84 | CYP2C19 (0.52) | LMNAALDH1A1TSHRATMKCNH2 | |
| Bromide SCHEMBL2900871 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| Bromide SCHEMBL20591841 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| Bromide SCHEMBL3252964 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL31308676 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3529241 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9114387 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 | |
| SCHEMBL6260224 | 0.83 | CYP2D6 (0.55) | LMNAALDH1A1TSHRKCNH2CYP2D6 |
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-2286915-A2 | IONIC LIQUIDS WITH A CATION COMPRISING A BASIC MOIETY | The Queen's University of Belfast (GB) | 2011-02-23 | — | — | EP | disclosed |