Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 13/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GHSR | Q92847 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 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 | |
|---|---|---|---|---|
| SCHEMBL4192251 | 1.00 | MLNR (0.50) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL1704593 | 0.90 | MLNR (0.46) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4187464 | 0.82 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4175748 | 0.82 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704594 | 0.81 | MLNR (0.42) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL378267 | 0.79 | MLNR (0.55) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4210797 | 0.79 | MLNR (0.55) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4217490 | 0.77 | MLNR (0.45) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4188248 | 0.76 | MLNR (0.75) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4185723 | 0.75 | MLNR (0.76) | MLNRCYP3A4CYP2D6KCNH2KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130317041-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-11-28 | — | — | US | disclosed |
| US-8536182-B2 | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LIMITED (GB) | 2013-09-17 | — | — | US | disclosed |
| EP-1907374-B1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LTD (GB) | 2012-08-22 | — | — | EP | disclosed |
| US-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | US | disclosed |
| EP-1907374-A2 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007012479-A2 | BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2007-02-01 | — | — | 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 (2 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-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GPR68, GPR88, GPR55 | MLNR 87/4885CYP3A4 606/4885CYP2D6 582/4885 |
| US-20130317041-A1 | COMPOUNDS | GPR68, GPR88, GPR35 | MLNR 71/4885CYP3A4 647/4885CYP2D6 787/4885 |
“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.