Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14807964 | 0.84 | ALDH1A1 (0.70) | ALDH1A1GAALMNAMGLL | |
| SCHEMBL14808578 | 0.84 | ALDH1A1 (0.97) | ALDH1A1GAAHSD11B1LMNAMGLL | |
| SCHEMBL14808331 | 0.83 | ALDH1A1 (0.69) | ALDH1A1GAALMNA | |
| SCHEMBL14808748 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAAHSD11B1SMN1; SMN2MGLL | |
| SCHEMBL14808621 | 0.81 | ALDH1A1 (0.67) | ALDH1A1GAA | |
| SCHEMBL14808302 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GAASMN1; SMN2MGLL | |
| Hydrochloric Acid SCHEMBL8864128 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GAA | |
| SCHEMBL14808607 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GAAHSD11B1LMNASMN1; SMN2 | |
| SCHEMBL14808704 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GAAHTTSMN1; SMN2 | |
| SCHEMBL15341664 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GAALMNASMN1; SMN2MGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2758395-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | Vertex Pharmaceuticals Inc. (US) | 2014-07-30 | — | — | EP | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| WO-2013043960-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-28 | — | — | 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 (1 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-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | CHKA, CHKB, PHKG1 | ALDH1A1 2231/4885GAA 380/4885HSD11B1 2124/4885 |
“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.