Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30593904 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL26698417 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL17895159 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL1741079 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL22731769 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL11668569 | 0.98 | CYP1A2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL531034 | 0.95 | ALDH1A1 (0.33) | ALDH1A1FAAHACHECCR6PKM | |
| SCHEMBL20136144 | 0.89 | CHRNB2 (0.37) | CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL3365506 | 0.88 | — | — | |
| SCHEMBL21449079 | 0.88 | FAAH (0.35) | FAAHACHE |
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-6936632-B2 | Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof | MERCKLE GMBH (DE) | 2005-08-30 | — | — | US | disclosed |
| US-20040122002-A1 | Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof | MERCKLE GMBH (DE) | 2004-06-24 | — | — | US | disclosed |
| EP-1246825-B1 | FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF | MERCKLE GMBH (DE) | 2003-12-17 | — | — | EP | disclosed |
| EP-1246825-A1 | FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF | MERCKLE GMBH (DE) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001051491-A1 | FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF | MERCKLE GMBH (DE) | 2001-07-19 | — | — | 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-20040122002-A1 | Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof | PTGS1, PTGS2, PTGER1 | CYP1A2 35/4885CHRNB2 4582/4885CHRNA7 4703/4885 |
“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.