Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD5 | P21918 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28842072 | 0.81 | ALDH1A1 (0.42) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28574884 | 0.81 | ALDH1A1 (0.43) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28669596 | 0.80 | DRD1 (0.51) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL584898 | 0.80 | CA12 (0.53) | DRD1DRD2DRD4DRD5DRD3 | |
| Pyrene SCHEMBL28101916 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRL3MBTL1CYP2A6 | |
| SCHEMBL1666926 | 0.80 | DRD1 (0.60) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28373887 | 0.80 | ALDH1A1 (0.40) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL16381756 | 0.79 | CA12 (0.56) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28433791 | 0.78 | DRD1 (0.50) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL29733602 | 0.78 | DRD1 (0.58) | DRD1DRD2DRD4DRD5DRD3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8993806-B2 | Organic porous materials comprising shape-persistent three-dimensional molecular cage building blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2015-03-31 | — | — | US | disclosed |
| US-8993806-B2 | Organic porous materials comprising shape-persistent three-dimensional molecular cage building blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2015-03-31 | — | — | US | disclosed |
| US-8993806-B2 | Organic porous materials comprising shape-persistent three-dimensional molecular cage building blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2015-03-31 | — | — | US | disclosed |
| US-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2013-02-28 | — | — | US | disclosed |
| US-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2013-02-28 | — | — | US | disclosed |
| US-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2013-02-28 | — | — | US | disclosed |
| EP-2547421-A2 | ORGANIC POROUS MATERIALS COMPRISING SHAPE-PERSISTENT THREE-DIMENSIONAL MOLECULAR CAGE BUILDING BLOCKS | The Regents of the University of Colorado (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011116359-A2 | ORGANIC POROUS MATERIALS COMPRISING SHAPE-PERSISTENT THREE-DIMENSIONAL MOLECULAR CAGE BUILDING BLOCKS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011116359-A2 | ORGANIC POROUS MATERIALS COMPRISING SHAPE-PERSISTENT THREE-DIMENSIONAL MOLECULAR CAGE BUILDING BLOCKS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2011-09-22 | — | — | 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-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | CAPG, NCBP1, ORC3 | DRD1 3593/4885DRD2 3529/4885DRD4 2450/4885 |
“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.