Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 10/20 | 0.57 |
| ▸ | CDK4 | P11802 | 2/20 | 0.56 |
| ▸ | CCND1 | P24385 | 2/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11494396 | 0.87 | TBXAS1 (0.72) | MPOTBXAS1HTR2ATRPM8HTR1A | |
| SCHEMBL32669459 | 0.81 | HTR2A (0.60) | TBXAS1HTR2ATRPM8HTR1AHTR2C | |
| SCHEMBL734128 | 0.81 | TBXAS1 (0.74) | MPOTBXAS1HTR2AHTR1AHTR2C | |
| Hydrochloric Acid SCHEMBL408332 | 0.80 | TBXAS1 (0.72) | MPOTBXAS1HTR2AHTR1AHTR2C | |
| SCHEMBL735019 | 0.78 | MPO (0.59) | MPOCDK4CCND1HTR2ATRPM8 | |
| SCHEMBL734706 | 0.77 | MPO (0.57) | MPOCDK4CCND1HTR2ATRPM8 | |
| SCHEMBL11050443 | 0.74 | MPO (0.61) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL26508398 | 0.73 | MPO (0.94) | MPOHTR2AHTR1A | |
| SCHEMBL733997 | 0.73 | MPO (1.00) | MPOHTR2AHTR1A | |
| SCHEMBL7480332 | 0.72 | HTR2C (0.73) | TBXAS1HTR2AHTR1AHTR2CKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | MPO 4308/4885CDK4 1745/4885CCND1 3524/4885 |
“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.