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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.57 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | APEX1 | P27695 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL28375564 | 0.97 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL136983 | 0.95 | MEN1 (0.63) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL9447024 | 0.92 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL9447035 | 0.92 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL9447076 | 0.92 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL7782023 | 0.92 | CYP3A4 (0.68) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL316335 | 0.92 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL7782025 | 0.90 | LMNA (0.57) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL14856340 | 0.90 | CYP3A4 (0.65) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL27948905 | 0.88 | LMNA (0.55) | MEN1KMT2ALMNACYP3A4SLC5A7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500668-A | INK JET PRINTING | XEROX CORPORATION (US) | 1996-03-19 | — | — | US | claimed |
| US-6350795-B1 | ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES | XEROX CORPORATION | 2002-02-26 | — | — | US | disclosed |
| US-6171702-B1 | Coated substrates | XEROX CORPORATION | 2001-01-09 | — | — | US | disclosed |
| US-6096125-A | Ink compositions | XEROX CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| US-5500668-A | INK JET PRINTING | XEROX CORPORATION (US) | 1996-03-19 | — | — | US | disclosed |