Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 16/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 15/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 15/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 13/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | TSHR | P16473 | 9/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.49 |
| ▸ | USP2 | O75604 | 5/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268428 | 0.90 | CYP1A2 (0.51) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3268678 | 0.90 | CYP1A2 (0.52) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3267094 | 0.87 | CYP1A2 (0.47) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3268137 | 0.86 | CYP1A2 (0.47) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL8509984 | 0.83 | KCNH2 (0.49) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3268321 | 0.82 | CYP1A2 (0.53) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3267284 | 0.79 | EGFR (0.48) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3268743 | 0.78 | NTRK1 (0.48) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3268584 | 0.77 | CYP1A2 (0.52) | CYP3A4CYP2C19CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL3267190 | 0.77 | DHFR (0.50) | ALDH1A1KDM4ESMN1; SMN2HPGDMEN1 |
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-8399674-B2 | Quinolines | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | claimed |
| US-20120136018-A1 | QUINOLINES | KOLCZEWSKI SABINE (DE) | 2012-05-31 | — | — | US | claimed |
| EP-2195296-A1 | QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-16 | — | — | EP | claimed |
| US-20090088451-A1 | QUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | US | claimed |
| WO-2009040290-A1 | QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | claimed |
| US-8399674-B2 | Quinolines | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120136018-A1 | QUINOLINES | KOLCZEWSKI SABINE (DE) | 2012-05-31 | — | — | US | disclosed |
| EP-2195296-A1 | QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-16 | — | — | EP | disclosed |
| US-20090088451-A1 | QUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | US | disclosed |
| WO-2009040290-A1 | QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | 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 (2 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-20090088451-A1 | QUINOLINES | HTR5A, HTR1A, HTR1E | CYP3A4 329/4885CYP2C19 288/4885CYP1A2 161/4885 |
| US-20120136018-A1 | QUINOLINES | HTR5A, HTR1A, HTR1E | CYP3A4 329/4885CYP2C19 288/4885CYP1A2 161/4885 |
“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.