Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.44 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | GSK3A | P49840 | 2/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | MARK3 | P27448 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15515501 | 0.82 | CYP3A4 (0.58) | ROCK2CYP3A4ROCK1GSK3BJAK2 | |
| SCHEMBL24172739 | 0.79 | CYP3A4 (0.58) | ROCK2CYP3A4ROCK1GSK3BCYP2D6 | |
| SCHEMBL27925951 | 0.78 | LTA4H (0.40) | JAK2 | |
| SCHEMBL3700494 | 0.75 | ALDH1A1 (0.56) | CYP3A4 | |
| SCHEMBL3700499 | 0.75 | ALDH1A1 (0.56) | CYP3A4 | |
| SCHEMBL3700496 | 0.75 | ALDH1A1 (0.56) | CYP3A4 | |
| SCHEMBL30469212 | 0.75 | TERT (0.53) | ROCK2CYP3A4DYRK1APDGFRBFGFR1 | |
| Indazole SCHEMBL28869129 | 0.73 | CDK2 (0.59) | ROCK2CYP3A4ROCK1GSK3BDYRK1A | |
| SCHEMBL5412781 | 0.73 | PLK4 (0.56) | ROCK2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL28548770 | 0.71 | ROCK2 (0.49) | ROCK2ROCK1GSK3BDYRK1ACDK5 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108273478-B | Formaldehyde removal composition and product | 李怀玉 | 2021-03-02 | — | — | CN | disclosed |
| CN-108273478-A | A kind of formaldehyde removing composition and product | 李怀玉 | 2018-07-13 | — | — | CN | disclosed |
| EP-2846788-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | Akron Molecules AG (AT) | 2015-03-18 | — | — | EP | disclosed |
| US-20140349969-A1 | COMPOUNDS AND METHODS FOR TREATING PAIN | AKRON MOLECULES AG (AT) | 2014-11-27 | — | — | US | disclosed |
| EP-2674161-A1 | FMO3 inhibitors for treating pain | Akron Molecules GmbH (AT) | 2013-12-18 | — | — | EP | disclosed |
| CN-103415286-A | Compounds and methods for treating pain | AKRON MOLECULES GMBH | 2013-11-27 | — | — | CN | disclosed |
| WO-2013167743-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | AKRON MOLECULES GMBH (AT) | 2013-11-14 | — | — | WO | disclosed |
| US-20130252924-A1 | Compounds and Methods for Treating Pain | AKRON MOLECULES GMBH (AT) | 2013-09-26 | — | — | US | disclosed |
| EP-2637649-A2 | COMPOUNDS AND METHODS FOR TREATING PAIN | Akron Molecules GmbH (AT) | 2013-09-18 | — | — | EP | disclosed |
| EP-2633884-A1 | Obesity small molecules | Akron Molecules GmbH (AT) | 2013-09-04 | — | — | EP | disclosed |
| US-20130030007-A1 | Obesity Small Molecules | AKRON MOLECULES GMBH (AT) | 2013-01-31 | — | — | US | disclosed |
| EP-2521594-A2 | OBESITY SMALL MOLECULES | Akron Molecules GmbH (AT) | 2012-11-14 | — | — | EP | disclosed |
| WO-2012062925-A2 | COMPOUNDS AND METHODS FOR TREATING PAIN | AKRON MOLECULES GMBH (AT) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011083150-A2 | OBESITY SMALL MOLECULES | AKRON MOLECULES GMBH (AT) | 2011-07-14 | — | — | 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-20140349969-A1 | COMPOUNDS AND METHODS FOR TREATING PAIN | TRPV1, ACHE, OPRL1 | ROCK2 922/4885CYP3A4 2764/4885ROCK1 1141/4885 |
| US-20130252924-A1 | Compounds and Methods for Treating Pain | TRPV1, ACHE, OPRL1 | ROCK2 922/4885CYP3A4 2764/4885ROCK1 1141/4885 |
“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.