Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MAP2 | P11137 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.32 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.32 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL11030189 | 0.92 | HTR1A (0.34) | HTR1AHTR2AHTR7HTR6CNR1 | |
| SCHEMBL11027130 | 0.90 | CYP2C19 (0.41) | CYP2C19CYP3A4AKR1C3KMOCYP2C9 | |
| SCHEMBL11025279 | 0.86 | PRKAG1 (0.36) | KDM1AMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL11026336 | 0.83 | CYP2C19 (0.34) | CYP2C19CYP3A4CYP2C9HTR1AHTR2A | |
| SCHEMBL11029140 | 0.82 | FAAH (0.33) | MEN1ALDH1A1KMT2A | |
| SCHEMBL11031117 | 0.81 | HTT (0.31) | — | |
| SCHEMBL11025707 | 0.80 | CYP2C19 (0.40) | CYP2C19CYP3A4KMOCYP2C9BRD4 | |
| SCHEMBL11025415 | 0.79 | CYP2C19 (0.41) | CYP2C19CYP3A4AKR1C3KMOCYP2C9 | |
| SCHEMBL14331313 | 0.79 | CYP2C19 (0.39) | CYP2C19CYP3A4AKR1C3KMOCYP2C9 | |
| SCHEMBL11021411 | 0.78 | MEN1 (0.37) | CYP2C19CYP2C9SMN1; SMN2MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8809369-B2 | Tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-08-19 | — | — | US | claimed |
| US-20120190677-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | US | claimed |
| US-8809369-B2 | Tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-08-19 | — | — | US | disclosed |
| WO-2012103113-A1 | PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C | GILEAD PHARMASSET, LLC (US) | 2012-08-02 | — | — | WO | disclosed |
| US-20120190677-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | 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 (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-20120190677-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | RAB1A, RABL3, RAB7A | CYP2C19 1776/4885CYP3A4 715/4885AKR1C3 1863/4885 |
“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.