Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12448010 | 0.87 | ALDH1A1 (0.38) | CACNA1BALDH1A1PDE5AACHECTRB1 | |
| SCHEMBL1767998 | 0.83 | ALDH1A1 (0.35) | CACNA1BALDH1A1PDE5AACHECTRB1 | |
| SCHEMBL12273343 | 0.80 | ALDH1A1 (0.46) | ALDH1A1PDE5AACHECTRB1CES1 | |
| SCHEMBL19716597 | 0.79 | ACHE (0.59) | ALDH1A1PDE5AACHECTRB1CES1 | |
| SCHEMBL29658511 | 0.79 | ACHE (0.59) | ALDH1A1PDE5AACHECTRB1CES1 | |
| SCHEMBL1767996 | 0.76 | ALDH1A1 (0.38) | ALDH1A1PDE5AACHECTRB1CES1 | |
| SCHEMBL1767982 | 0.76 | OPRM1 (0.42) | ALDH1A1 | |
| SCHEMBL904157 | 0.75 | CASP3 (0.51) | PDE5AACHECTRB1CES1BCHE | |
| SCHEMBL19717275 | 0.75 | CTRB1 (0.40) | ALDH1A1PDE5AACHECTRB1CES1 | |
| SCHEMBL29658759 | 0.75 | CTRB1 (0.40) | ALDH1A1PDE5AACHECTRB1CES1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8906930-B2 | Quinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8906930-B2 | Quinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | disclosed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | 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-20120238582-A1 | QUINAZOLINE DERIVATIVES | HSP90AB1, HSP90AA1, HSP90B1 | CACNA1B 4554/4885ALDH1A1 2248/4885PDE5A 1866/4885 |
“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.