Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16371587 | 1.00 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23603829 | 1.00 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11413592 | 0.98 | CYP2C19 (0.55) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4088646 | 0.92 | CYP2C19 (0.57) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6306047 | 0.87 | CYP2C19 (0.59) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31163814 | 0.87 | PTGER1 (0.46) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28965534 | 0.85 | CYP2C19 (0.57) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1008269 | 0.84 | CYP1A2 (0.53) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1149087 | 0.83 | CYP2C19 (0.61) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7909121 | 0.83 | CYP2C19 (0.59) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268606-B1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| US-8344027-B2 | 4-dimethylaminobutyric acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | disclosed |
| US-20120289554-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | ANDJELKOVIC MIRJANA (CH) | 2012-11-15 | — | — | US | disclosed |
| US-8188083-B2 | Triazolopyridazines | ABBOTT LABORATORIES (US) | 2012-05-29 | — | — | US | 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 |
| US-20090270505-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-10-29 | — | — | US | disclosed |
| US-20090270402-A1 | Novel triazolopyridazines | ABBVIE INC. | 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 | CYP2C19 1160/4885CYP1A2 237/4885CYP3A4 743/4885 |
| US-20090270402-A1 | Novel triazolopyridazines | MAP3K5, MAP3K1, MAP3K2 | CYP2C19 855/4885CYP1A2 374/4885CYP3A4 835/4885 |
| US-20120289554-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | CPT1B, CPT1A, CPT2 | CYP2C19 1160/4885CYP1A2 237/4885CYP3A4 743/4885 |
“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.