Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL285476 | 0.89 | L3MBTL1 (0.45) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL285668 | 0.87 | L3MBTL1 (0.44) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL19900019 | 0.86 | TSHR (0.37) | ALDH1A1L3MBTL1KDM4ELMNAMEN1 | |
| SCHEMBL2006487 | 0.76 | ADORA3 (0.40) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL19900847 | 0.74 | ADORA3 (0.39) | ALDH1A1L3MBTL1KDM4ELMNAMEN1 | |
| SCHEMBL31706396 | 0.72 | MMP2 (0.40) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL27006476 | 0.72 | TSHR (0.50) | ALDH1A1LMNASMN1; SMN2POLBTSHR | |
| SCHEMBL2775305 | 0.72 | ALDH1A1 (0.58) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL15885600 | 0.71 | PDE4B (0.46) | ALDH1A1KDM4ELMNAPOLBPDE4B | |
| SCHEMBL16210583 | 0.71 | TSHR (0.41) | ALDH1A1L3MBTL1KDM4ECYP1A2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427457-B1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-8357703-B2 | Pyridines | HOFFMANN-LA ROCHE INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427457-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| US-20100286117-A1 | PYRIDINES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| WO-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| WO-2010127978-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | 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-20100286115-A1 | PYRAZOLES | GABRA5, GABRA1, GABRA3 | ALDH1A1 724/4885CACNA1F 271/4885CACNA1D 327/4885 |
| US-20100286117-A1 | PYRIDINES | GABRA5, GABRA1, GABRA4 | ALDH1A1 459/4885CACNA1F 291/4885CACNA1D 279/4885 |
“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.