Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 4/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CCKAR | P32238 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL15034129 | 0.92 | CFTR (0.39) | ALDH1A1KDM4EMGLLIRAK4CFTR | |
| SCHEMBL15034113 | 0.87 | IRAK4 (0.39) | SLC6A7ALDH1A1MGLLIRAK4CFTR | |
| SCHEMBL15039441 | 0.87 | IRAK1 (0.37) | SLC6A7MGLLIRAK4CFTRGRM5 | |
| SCHEMBL15034076 | 0.87 | SLC6A7 (0.39) | SLC6A7MGLLCFTRGRM5POLB | |
| SCHEMBL15034062 | 0.87 | GRM5 (0.47) | SLC6A7LMNAMGLLGRM5MAPK1 | |
| SCHEMBL15019498 | 0.86 | GRM5 (0.39) | SLC6A7MGLLIRAK4CFTRGRM5 | |
| SCHEMBL15034114 | 0.86 | CLK2 (0.38) | SLC6A7MGLLIRAK4POLBMAPT | |
| SCHEMBL15034051 | 0.85 | SLC6A7 (0.48) | SLC6A7ALDH1A1KDM4ELMNAMGLL | |
| SCHEMBL15034038 | 0.85 | MGLL (0.40) | SLC6A7MGLLIRAK4CFTRGRM5 | |
| SCHEMBL15020086 | 0.85 | MGLL (0.36) | SLC6A7MGLLCFTRGRM5CNR2 |
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 | SLC6A7 1222/4885ALDH1A1 3952/4885KDM4E 1242/4885 |
“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.