Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL271166 | 0.79 | TDP1 (0.45) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL6547337 | 0.79 | TSHR (0.50) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL1402335 | 0.79 | CYP2A6 (0.44) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL1244380 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| Hydrogen Sulfide SCHEMBL28084470 | 0.78 | TDP1 (0.44) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL11036721 | 0.78 | GABRA1 (0.57) | GABRA1GABRB2 | |
| SCHEMBL248762 | 0.78 | TDP1 (0.44) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL248763 | 0.78 | TDP1 (0.44) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2117021 | 0.76 | USP2 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL11207425 | 0.76 | TDP1 (0.43) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDTJYLLAND (DK) | 2013-05-16 | — | — | US | claimed |
| US-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDT JYLLAND (DK) | 2012-04-19 | — | — | US | claimed |
| EP-2398760-A1 | ALLOSTERIC BINDING COMPOUNDS | Aarhus Universitet (DK) | 2011-12-28 | — | — | EP | claimed |
| WO-2010094289-A1 | ALLOSTERIC BINDING COMPOUNDS | AARHUS UNIVERSITET (DK) | 2010-08-26 | — | — | WO | claimed |
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDTJYLLAND (DK) | 2013-05-16 | — | — | US | disclosed |
| US-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDT JYLLAND (DK) | 2012-04-19 | — | — | US | disclosed |
| EP-2398760-A1 | ALLOSTERIC BINDING COMPOUNDS | Aarhus Universitet (DK) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094289-A1 | ALLOSTERIC BINDING COMPOUNDS | AARHUS UNIVERSITET (DK) | 2010-08-26 | — | — | 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-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | GRIN2C, GRM2, GRIN2B | ALDH1A1 3676/4885TDP1 2112/4885CYP2A6 990/4885 |
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | GRIN2C, GRM2, GRIN2B | ALDH1A1 3676/4885TDP1 2112/4885CYP2A6 990/4885 |
“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.