Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691477 | 0.80 | CYP2D6 (0.51) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL13338372 | 0.78 | CYP2D6 (0.47) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL17633995 | 0.76 | CYP2D6 (0.40) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL11701431 | 0.75 | CYP2D6 (0.44) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL13338416 | 0.72 | ALDH1A1 (0.46) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL17070034 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL4971165 | 0.70 | TAAR1 (0.52) | TAAR1HRH1SLC6A2SLC6A4HTR2A | |
| SCHEMBL1225311 | 0.70 | CYP2D6 (0.47) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 | |
| SCHEMBL4461877 | 0.70 | SLC6A2 (0.48) | CYP2D6CYP2C19ALDH1A1HRH1CHRM2 | |
| SCHEMBL11697724 | 0.69 | ALDH1A1 (0.41) | CYP2D6CYP2C19TAAR1ALDH1A1HRH1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2744771-B1 | C-HALOGEN BOND FORMATION | UNIV PRINCETON (US) | 2020-10-21 | — | — | EP | claimed |
| US-20200190012-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2020-06-18 | — | — | US | claimed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | claimed |
| EP-2744771-A1 | C-HALOGEN BOND FORMATION | The Trustees of Princeton University (US) | 2014-06-25 | — | — | EP | claimed |
| WO-2013028639-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-02-28 | — | — | WO | claimed |
| EP-2744771-B1 | C-HALOGEN BOND FORMATION | UNIV PRINCETON (US) | 2020-10-21 | — | — | EP | disclosed |
| US-20200190012-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2020-06-18 | — | — | US | disclosed |
| US-20190127311-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-05-02 | — | — | US | disclosed |
| US-10196341-B2 | C-halogen bond formation | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-02-05 | — | — | US | disclosed |
| US-20160264512-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-09-15 | — | — | US | disclosed |
| WO-2015054476-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-04-16 | — | — | WO | disclosed |
| US-20150031768-A1 | C-HALOGEN BOND FORMATION | NATIONAL SCIENCE FOUNDATION | 2015-01-29 | — | — | US | disclosed |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | disclosed |
| EP-2744771-A1 | C-HALOGEN BOND FORMATION | The Trustees of Princeton University (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013081685-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-06-06 | — | — | WO | disclosed |
| WO-2013028639-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-02-28 | — | — | 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 (7 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-20200190012-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
| US-20160264512-A1 | C-HALOGEN BOND FORMATION | FOS, BCL3, CBR3 | CYP2D6 2159/4885CYP2C19 2701/4885TAAR1 4515/4885 |
| US-20190127311-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
| US-10196341-B2 | C-halogen bond formation | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
| US-20150031768-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP2D6 1756/4885CYP2C19 2559/4885TAAR1 4203/4885 |
“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.