Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | BCL9 | O00512 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL846486 | 0.88 | ALDH1A1 (0.49) | ALDH1A1POLBBCL9CTNNB1HDAC3 | |
| SCHEMBL8327387 | 0.86 | ALDH1A1 (0.47) | ALDH1A1POLBBCL9CTNNB1HDAC3 | |
| SCHEMBL12448008 | 0.82 | ALDH1A1 (0.51) | ALDH1A1POLBBCL9CTNNB1LMNA | |
| SCHEMBL20138618 | 0.79 | ESR1 (0.43) | ALDH1A1MAPK1LMNAMAPTHTT | |
| SCHEMBL20138639 | 0.78 | ESR1 (0.55) | ALDH1A1LMNA | |
| SCHEMBL22540967 | 0.78 | ALDH1A1 (0.47) | ALDH1A1POLBBCL9CTNNB1HDAC3 | |
| SCHEMBL173882 | 0.78 | CYP2C19 (0.47) | ALDH1A1HDAC3HDAC1HDAC2LMNA | |
| SCHEMBL27843766 | 0.78 | NPC1 (0.47) | ALDH1A1POLBLMNACES1MAPT | |
| SCHEMBL7921449 | 0.77 | HDAC3 (0.49) | ALDH1A1POLBBCL9CTNNB1HDAC3 | |
| SCHEMBL654073 | 0.77 | EPHX2 (0.40) | ALDH1A1POLBTDP1MAPK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102648178-B | Quinazoline derivatives | MERCK PATENT GMBH | 2015-01-07 | — | — | CN | 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 |
| CN-102648178-A | Quinazoline derivatives | MERCK PATENT GMBH | 2012-08-22 | — | — | CN | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | 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 | ALDH1A1 2248/4885POLB 3380/4885BCL9 2443/4885 |
“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.