Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKAR | P32238 | 2/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL15034067 | 0.88 | GRM5 (0.47) | CCKARMGLLWNK1ALDH1A1HPGD | |
| SCHEMBL15034112 | 0.86 | MGLL (0.43) | CFTRTSHRSLC6A7MAPTPOLB | |
| SCHEMBL15034093 | 0.86 | WNK1 (0.47) | CCKARCFTRSLC6A7MGLLWNK1 | |
| SCHEMBL15034041 | 0.86 | GRM5 (0.39) | CCKARCFTRTSHRSLC6A7MAPT | |
| SCHEMBL15034103 | 0.85 | MAPT (0.42) | CCKARCFTRTSHRSLC6A7MAPT | |
| SCHEMBL15034055 | 0.85 | CCKAR (0.39) | CCKARCFTRTSHRSLC6A7MAPT | |
| SCHEMBL15034042 | 0.85 | GRM5 (0.40) | CCKARCFTRTSHRSLC6A7MAPT | |
| SCHEMBL15034057 | 0.85 | DRD3 (0.40) | CCKARCFTRSLC6A7MAPTPOLB | |
| SCHEMBL15034045 | 0.84 | KCNK3 (0.40) | CCKARCFTRTSHRSLC6A7MAPT | |
| SCHEMBL15019972 | 0.83 | SLC6A7 (0.43) | TSHRSLC6A7MGLLSMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8883789-B2 | Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-8883789-B2 | Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-20130158042-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| US-20130158042-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | 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-20130158042-A1 | NOVEL COMPOUNDS | GRM5, GRIK5, GRM1 | CCKAR 460/4885CFTR 3753/4885TSHR 886/4885 |
“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.