Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.62 |
| ▸ | TPMT | P51580 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5313340 | 0.80 | TSHR (0.72) | PDPK1TSHRGSK3BKMT2AALDH1A1 | |
| SCHEMBL928740 | 0.79 | PDPK1 (0.47) | PDPK1TPMTTSHRKMT2AALDH1A1 | |
| SCHEMBL5066173 | 0.79 | GSK3B (0.63) | TSHRGSK3BCA1CA2KMT2A | |
| SCHEMBL19642670 | 0.79 | ALDH1A1 (0.62) | TSHRGSK3BKMT2AALDH1A1LMNA | |
| SCHEMBL27851150 | 0.79 | PDPK1 (0.53) | PDPK1TPMTTSHRGSK3BCA1 | |
| SCHEMBL19642630 | 0.79 | GSK3B (0.61) | PDPK1TSHRGSK3BKMT2AALDH1A1 | |
| SCHEMBL928739 | 0.78 | KMT2A (0.53) | PDPK1TPMTTSHRGSK3BCA1 | |
| SCHEMBL8537118 | 0.78 | PTPN1 (0.66) | PDPK1TSHRGSK3BALDH1A1LMNA | |
| SCHEMBL656820 | 0.77 | PDPK1 (1.00) | PDPK1TPMTTSHRGSK3BKMT2A | |
| SCHEMBL19642604 | 0.76 | TSHR (0.46) | PDPK1TSHRKMT2AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| CN-101189233-A | Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor | ABBOTT LAB (US) | 2008-05-28 | — | — | CN | disclosed |
| US-7309699-B2 | 3-Quinuclidinyl amino-substituted biaryl derivatives | ABBOTT LABORATORIES (US) | 2007-12-18 | — | — | US | disclosed |
| US-20070275975-A1 | 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES | JI JIANGUO | 2007-11-29 | — | — | US | disclosed |
| US-20050159597-A1 | 3-Quinuclidinyl amino-substituted biaryl derivatives | ABBOTT LABORATORIES | 2005-07-21 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | 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 (4 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-20050159597-A1 | 3-Quinuclidinyl amino-substituted biaryl derivatives | CHRNA7, CHRNA9, CHRNA1 | PDPK1 3694/4885TPMT 3076/4885TSHR 491/4885 |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | PDPK1 946/4885TPMT 3629/4885TSHR 741/4885 |
| US-20070275975-A1 | 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES | CHRNA7, CHRNA9, CHRNA1 | PDPK1 3694/4885TPMT 3076/4885TSHR 491/4885 |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | CHRNA7, CHRNA2, CHRNA6 | PDPK1 1961/4885TPMT 1228/4885TSHR 1509/4885 |
“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.