Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3414946 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL7877446 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL8805565 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL16811748 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL4558503 | 0.84 | ALDH1A1 (0.72) | ALDH1A1CYP1A2NPSR1TSHRTDP1 | |
| SCHEMBL8804897 | 0.80 | ALDH1A1 (0.51) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL7874932 | 0.80 | ALDH1A1 (0.51) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL17083920 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL8804894 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2NPSR1TSHRHTT | |
| SCHEMBL7091337 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2NPSR1TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-9625448-B2 | Double caged GABA compounds, bis-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-04-18 | — | — | US | disclosed |
| US-20150266809-A1 | DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY | 2015-09-24 | — | — | US | disclosed |
| US-5888829-A | Photolabile caged ionophores and method of using in a membrane separation process | MOLECULAR PROBES, INC. (US) | 1999-03-30 | — | — | US | disclosed |
| US-5635608-A | CONTAINS PHOTOREMOVABLE ALPHA-CARBOXY-SUBSTITUTED ORTHO-NITROBENZYL GROUP THAT CHANGES THE FLUORESCENCE AND BIOLOGICAL PROPERTIES OF THE COMPOUND | MOLECULAR PROBES, INC. (US) | 1997-06-03 | — | — | US | 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-20150266809-A1 | DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA | GABRB2, GABRB3, GABRB1 | ALDH1A1 2034/4885CYP1A2 1703/4885NPSR1 286/4885 |
“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.