Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | RPS6KA2 | Q15349 | 9/20 | 0.37 |
| ▸ | AR | P10275 | 6/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4045041 | 1.00 | HRH3 (0.37) | HRH3CYP3A4CYP2D6RPS6KA2AR | |
| SCHEMBL4041887 | 0.79 | RPS6KA2 (0.50) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL4046631 | 0.79 | RPS6KA2 (0.50) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL4044088 | 0.75 | HRH3 (0.44) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL4044083 | 0.75 | HRH3 (0.44) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL4037969 | 0.74 | HTR2A (0.34) | AR | |
| SCHEMBL4037974 | 0.74 | HTR2A (0.34) | AR | |
| SCHEMBL4043988 | 0.72 | RPS6KA2 (0.40) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL4043990 | 0.72 | RPS6KA2 (0.40) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 | |
| SCHEMBL5359206 | 0.72 | HRH3 (0.41) | HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3 |
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-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1370561-B1 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | HOFFMANN LA ROCHE (CH) | 2009-02-11 | — | — | EP | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| US-6844345-B2 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2005-01-18 | — | — | US | disclosed |
| EP-1370561-A2 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-12-17 | — | — | EP | disclosed |
| US-20020169163-A1 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. | 2002-11-14 | — | — | US | disclosed |
| WO-2002072584-A2 | TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-19 | — | — | 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 (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-20020169163-A1 | Piperazine derivatives | GPR119, SLC5A2, DPP4 | HRH3 2039/4885CYP3A4 285/4885CYP2D6 954/4885 |
“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.