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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL193902 | 0.84 | — | — | |
| SCHEMBL7614934 | 0.78 | — | — | |
| SCHEMBL28015858 | 0.70 | LMNA (0.40) | KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL16765733 | 0.69 | — | — | |
| SCHEMBL3425018 | 0.66 | S1PR1 (0.44) | KMT2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6683104 | 0.66 | TERT (0.43) | KMT2AMEN1LMNATSHRALDH1A1 | |
| SCHEMBL6992282 | 0.65 | MAPK1 (0.43) | KMT2AMEN1LMNATSHRMAPT | |
| Choline SCHEMBL8994290 | 0.63 | MEN1 (0.80) | KMT2AMEN1LMNACYP3A4SLC5A7 | |
| Choline SCHEMBL21380518 | 0.63 | MEN1 (0.80) | KMT2AMEN1LMNACYP3A4SLC5A7 | |
| Choline SCHEMBL14330721 | 0.63 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973884-B1 | NOVEL HETEROCYCLES | ORCHID PHARMA LTD (IN) | 2016-08-03 | — | — | EP | disclosed |
| US-8828999-B2 | Pyrimidine compounds and their uses | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2014-09-09 | — | — | US | disclosed |
| US-20130172350-A1 | PYRIMIDINE COMPOUNDS AND THEIR USES | ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) | 2013-07-04 | — | — | US | disclosed |
| US-8420653-B2 | Pyrimidine compounds and their uses | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2013-04-16 | — | — | US | disclosed |
| US-7863446-B2 | Heterocycles | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2011-01-04 | — | — | US | disclosed |
| US-20100329998-A1 | NOVEL HETEROCYCLES | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2010-12-30 | — | — | US | disclosed |
| EP-2245017-A2 | NOVEL HETEROCYCLES | Orchid Research Laboratories Limited (IN) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009095773-A2 | NOVEL HETEROCYCLES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2009-08-06 | — | — | WO | disclosed |
| EP-1973884-A2 | NOVEL HETEROCYCLES | Orchid Research Laboratories Limited (IN) | 2008-10-01 | — | — | EP | disclosed |
| WO-2008110891-A2 | NEW HETEROCYCLIC COMPOUNDS | ORCHID RESEARCH LABORATORIES LIMITED, (IN) | 2008-09-18 | — | — | WO | disclosed |
| US-20080221103-A1 | New heterocyclic compounds | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2008-09-11 | — | — | US | disclosed |
| US-20080207606-A1 | Novel heterocycles | ORCHID RESEARCH LABORATORIES LIMITED. (IN) | 2008-08-28 | — | — | US | disclosed |
| WO-2007113644-A2 | NEW HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007096740-A2 | NOVEL CEPHALOSPORINS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-08-30 | — | — | WO | disclosed |
| WO-2007083182-A2 | NOVEL HETEROCYCLES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-07-26 | — | — | WO | disclosed |
| US-20070167413-A1 | Novel heterocycles | ORCHID RESEARCH LABORATORIES LIMITED. (IN) | 2007-07-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080207606-A1 | Novel heterocycles | GPR4, UACA, PDE4A | KMT2A 4372/4885MEN1 617/4885LMNA 2176/4885 |
| US-20100329998-A1 | NOVEL HETEROCYCLES | UACA, GPR4, CASP4 | KMT2A 4346/4885MEN1 768/4885LMNA 2049/4885 |
| US-20070167413-A1 | Novel heterocycles | MCL1, UACA, MYLK2 | KMT2A 4744/4885MEN1 374/4885LMNA 2011/4885 |
| US-20080221103-A1 | New heterocyclic compounds | LOXL4, CXCR4, LTC4S | KMT2A 4045/4885MEN1 1470/4885LMNA 1220/4885 |
| US-20130172350-A1 | PYRIMIDINE COMPOUNDS AND THEIR USES | UMPS, PNP, PDE4A | KMT2A 4452/4885MEN1 2705/4885LMNA 2925/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.