Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1616609 | 1.00 | ALDH1A1 (0.45) | ALDH1A1PRKCQKDM4EMEN1KMT2A | |
| SCHEMBL2245619 | 0.82 | GBA1 (0.47) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL1616344 | 0.80 | GBA1 (0.46) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL1615945 | 0.80 | GBA1 (0.48) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL1615946 | 0.80 | GBA1 (0.48) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL1616343 | 0.80 | GBA1 (0.46) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL1616241 | 0.79 | GBA1 (0.50) | ALDH1A1KDM4EMEN1KMT2AGBA1 | |
| SCHEMBL1616249 | 0.79 | GBA1 (0.50) | ALDH1A1KDM4EMEN1KMT2AGBA1 | |
| SCHEMBL1615788 | 0.78 | GBA1 (0.44) | GBA1FADS1DDB1CRBNHDAC6 | |
| SCHEMBL3844986 | 0.78 | PDPK1 (0.47) | GBA1FADS1DDB1CRBNHDAC6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7994324-B2 | 2-aminoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-08-09 | — | — | US | disclosed |
| US-7923561-B2 | Quinolines | HOFFMANN-LA ROCHE INC. (US) | 2011-04-12 | — | — | US | disclosed |
| EP-2262773-A1 | 2-AMINOQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| EP-2099763-B1 | 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | disclosed |
| EP-2099763-A1 | 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-09-16 | — | — | EP | disclosed |
| WO-2009109491-A1 | 2-AMINOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |
| US-20090227584-A1 | 2-AMINOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-10 | — | — | US | disclosed |
| US-20080146567-A1 | QUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | US | disclosed |
| WO-2008068157-A1 | 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | 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-20090227584-A1 | 2-AMINOQUINOLINE DERIVATIVES | HTR5A, HTR2C, HTR2B | ALDH1A1 2103/4885PRKCQ 789/4885KDM4E 1083/4885 |
| US-20080146567-A1 | QUINOLINES | HTR5A, HTR2B, HTR2C | ALDH1A1 1619/4885PRKCQ 1972/4885KDM4E 1571/4885 |
“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.