Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006085 | 1.00 | CYP1A2 (0.47) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL1008289 | 0.87 | TBXAS1 (0.51) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL1008288 | 0.87 | TBXAS1 (0.51) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL25170020 | 0.87 | TBXAS1 (0.51) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL1008586 | 0.84 | HDAC1 (0.46) | HDAC1HDAC8HDAC3HDAC2HDAC10 | |
| SCHEMBL1008585 | 0.84 | HDAC1 (0.46) | HDAC1HDAC8HDAC3HDAC2HDAC10 | |
| SCHEMBL1007459 | 0.81 | ALDH1A1 (0.53) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL1007460 | 0.81 | ALDH1A1 (0.53) | CYP1A2HDAC1HDAC8HDAC3HDAC2 | |
| SCHEMBL7371267 | 0.78 | HDAC1 (0.60) | HDAC1HDAC8HDAC3HDAC2HDAC10 | |
| SCHEMBL7371270 | 0.78 | HDAC1 (0.60) | HDAC1HDAC8HDAC3HDAC2HDAC10 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280935-B1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-10-15 | — | — | EP | disclosed |
| EP-2268606-B1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| US-8673946-B2 | 4-trimethylammonio-butyrates as CPT2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20130030033-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2013-01-31 | — | — | US | disclosed |
| US-8349893-B2 | 4-trimethylammonio-butyrates as CPT2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8344027-B2 | 4-dimethylaminobutyric acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | disclosed |
| EP-2280935-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-02-09 | — | — | EP | disclosed |
| EP-2268606-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009132978-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-05 | — | — | WO | disclosed |
| WO-2009132979-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-05 | — | — | WO | disclosed |
| US-20090270505-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-10-29 | — | — | US | disclosed |
| US-20090270500-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-29 | — | — | 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 (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-20090270505-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | CPT1B, CPT1A, CPT2 | CYP1A2 237/4885HDAC1 360/4885HDAC8 1043/4885 |
| US-20090270500-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | CPT1A, CPT1B, CPT2 | CYP1A2 237/4885HDAC1 145/4885HDAC8 676/4885 |
| US-20130030033-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | CPT1A, CPT1B, CPT2 | CYP1A2 237/4885HDAC1 145/4885HDAC8 676/4885 |
“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.