Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
The experimentally established mechanism targets of Choline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 5/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Choline SCHEMBL8131162 | 0.87 | KCNH2 (0.43) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| Monoethanolamine SCHEMBL8134338 | 0.86 | KCNH2 (0.56) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL8129298 | 0.85 | KCNH2 (0.58) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| Ammonia Solution, Strong SCHEMBL8131738 | 0.84 | KCNH2 (0.57) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL9293141 | 0.77 | ALDH1A1 (0.56) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL29406230 | 0.77 | KCNH2 (0.68) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL8156650 | 0.77 | KCNH2 (0.68) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL8120097 | 0.76 | ALDH1A1 (0.58) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL8136060 | 0.76 | TOP2A (0.53) | KCNH2ALDH1A1POLBOPRM1CHRM2 | |
| SCHEMBL9293571 | 0.73 | KCNH2 (0.59) | KCNH2ALDH1A1POLBOPRM1CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342846-A | 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents | SYNPHAR LABORATORIES, INC. (CA) | 1994-08-30 | — | — | US | disclosed |
| WO-1993024481-A1 | 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS | SYNPHAR LABORATORIES, INC. (CA) | 1993-12-09 | — | — | WO | disclosed |