Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 6/20 | 0.43 |
| ▸ | CDC7 | O00311 | 6/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | PIM1 | P11309 | 4/20 | 0.43 |
| ▸ | PRKACA | P17612 | 4/20 | 0.43 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 4/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.41 |
| ▸ | FLT3 | P36888 | 3/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL733282 | 0.83 | TMEM97 (0.46) | TMEM97SIGMAR1CDK2CDC7ROCK2 | |
| SCHEMBL733287 | 0.80 | TMEM97 (0.45) | TMEM97SIGMAR1CDK2CDC7ROCK2 | |
| Hydrochloric Acid SCHEMBL733924 | 0.74 | OPRM1 (0.49) | CDK2CDC7ROCK2PIM1PRKACA | |
| SCHEMBL3930943 | 0.73 | DYRK1A (0.42) | TMEM97SIGMAR1CDK2CDC7ROCK2 | |
| SCHEMBL735185 | 0.73 | OPRM1 (0.50) | CDK2CDC7ROCK2PIM1PRKACA | |
| Citric Acid SCHEMBL735516 | 0.71 | DYRK1A (0.41) | TMEM97SIGMAR1CDK2CDC7ROCK2 | |
| Citric Acid SCHEMBL735515 | 0.71 | DYRK1A (0.41) | TMEM97SIGMAR1CDK2CDC7ROCK2 | |
| Hydrochloric Acid SCHEMBL734199 | 0.71 | OPRM1 (0.46) | SIGMAR1HTR2AHTR2COPRM1OPRK1 | |
| SCHEMBL735918 | 0.70 | OPRM1 (0.47) | HTR2AHTR2CHTR1ASLC6A4OPRM1 | |
| SCHEMBL3932517 | 0.70 | OPRM1 (0.47) | SIGMAR1HTR2AHTR2COPRM1OPRK1 |
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 10 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 | claimed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | claimed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | claimed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | claimed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | claimed |
| 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 |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | TMEM97 1414/4885SIGMAR1 873/4885CDK2 998/4885 |
“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.