Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10164986 | 0.86 | PKM (0.47) | ALDH1A1KMT2AGAAMAPTKDM4E | |
| SCHEMBL7043180 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KMT2AHTTGAAMAPT | |
| SCHEMBL616878 | 0.76 | ABCB1 (0.40) | ALDH1A1KMT2AHTTGAAMAPT | |
| SCHEMBL616879 | 0.76 | ABCB1 (0.40) | ALDH1A1KMT2AHTTGAAMAPT | |
| SCHEMBL13193377 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTGAAMAPT | |
| SCHEMBL28353721 | 0.75 | CES2 (0.47) | ALDH1A1KMT2AMAPTKDM4ENPSR1 | |
| SCHEMBL884798 | 0.75 | CES2 (0.47) | ALDH1A1KMT2AMAPTLMNAGPR35 | |
| SCHEMBL240151 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KMT2AHTTGAAMAPT | |
| SCHEMBL3709449 | 0.71 | CYP11B1 (0.43) | ALDH1A1KMT2AGAAMAPTKDM4E | |
| SCHEMBL1437430 | 0.71 | TSHR (0.38) | ALDH1A1KMT2AGAAMAPTPTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421366-B1 | HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-8293744-B2 | Heterocyclic fused cinnoline M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-10-23 | — | — | US | disclosed |
| EP-2421366-A1 | HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20120040978-A1 | Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2010123716-A1 | HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-28 | — | — | 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-20120040978-A1 | Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators | CHRM1, CNR1, CHRNA7 | ALDH1A1 1911/4885KMT2A 2415/4885HTT 360/4885 |
“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.