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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.63 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 SCHEMBL393397 | 0.97 | MEN1 (0.67) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL3790707 | 0.94 | MEN1 (0.63) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL2459166 | 0.92 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL872577 | 0.90 | MEN1 (0.57) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL27987657 | 0.89 | LMNA (0.63) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL27347099 | 0.87 | MEN1 (0.55) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL28318708 | 0.86 | CYP3A4 (0.68) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL339064 | 0.86 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL27779128 | 0.86 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL868978 | 0.86 | MEN1 (0.60) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130196986-A1 | TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2013-08-01 | — | — | US | disclosed |
| EP-2619204-A2 | TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-07-31 | — | — | EP | disclosed |
| US-8349858-B2 | Polycyclic guanine derivatives and use thereof | MERCK SHARP & DOHME (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120316176-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. | 2012-12-13 | — | — | US | disclosed |
| EP-2523561-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b]PURIN-4(5H)-ONE AND METHODS OF USE THEREOF | Merck Sharp & Dohme Corp. (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2012040048-A2 | TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2011079000-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b]PURIN-4(5H)-ONE AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110065738-A1 | POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION | 2011-03-17 | — | — | US | disclosed |
| EP-2170896-A2 | POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009002423-A2 | POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION (US) | 2008-12-31 | — | — | WO | 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 (3 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-20120316176-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF | P2RX7, P2RX4, P2RX3 | MEN1 2421/4885KMT2A 4192/4885LMNA 1979/4885 |
| US-20130196986-A1 | TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS | P2RX7, P2RX3, P2RX1 | MEN1 4579/4885KMT2A 3131/4885LMNA 4020/4885 |
| US-20110065738-A1 | POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF | GDA, HPRT1, GMPS | MEN1 2964/4885KMT2A 1297/4885LMNA 2318/4885 |
“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.