Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.35 |
| ▸ | PRNP | P04156 | 2/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3961877 | 0.76 | KDM4E (0.44) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL9415849 | 0.76 | IKBKB (0.44) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL11389056 | 0.76 | KDM4E (0.44) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL241706 | 0.74 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL9063655 | 0.71 | CYP3A4 (0.42) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL276035 | 0.70 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL30212114 | 0.69 | MGAM (0.57) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL3660080 | 0.69 | MGAM (0.57) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL5483645 | 0.69 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDGLAMAPT | |
| SCHEMBL31115164 | 0.69 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDGLAMAPT |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641781-B1 | Benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2013-03-06 | — | — | EP | disclosed |
| EP-1856100-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | disclosed |
| US-7632832-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-15 | — | — | US | disclosed |
| EP-1856100-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| US-20080125413-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-29 | — | — | US | disclosed |
| EP-1856100-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| US-7196079-B2 | Benzodiazepine CGRP receptor antagonists | MERCK & CO, INC. (US) | 2007-03-27 | — | — | US | disclosed |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |
| US-20060148790-A1 | Benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-07-06 | — | — | US | disclosed |
| EP-1641781-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005000807-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| US-20020151543-A1 | Compositions and methods employing R (-) fluoxetine and other active ingredients | SEPRACOR INC. | 2002-10-17 | — | — | US | disclosed |
| WO-2000024399-A1 | COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS | SEPRACOR INC. (US) | 2000-05-04 | — | — | WO | disclosed |
| WO-1999061014-A2 | COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS | SEPRACOR INC. (US) | 1999-12-02 | — | — | WO | disclosed |
| US-4412952-A | HYDROLYSIS OF THE ESTER USING POTASSIUM HYDROXIDE CATALYST IN A LOWER ALCOHOL SOLVENT | SANDOZ, INC. (US) | 1983-11-01 | — | — | 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 (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-20080125413-A1 | Cgrp Receptor Antagonists | CALCRL, NPY1R, CCKBR | KDM4E 3342/4885ALDH1A1 4169/4885HPGD 838/4885 |
| US-20060148790-A1 | Benzodiazepine cgrp receptor antagonists | BDKRB1, CCKBR, BDKRB2 | KDM4E 2261/4885ALDH1A1 2234/4885HPGD 694/4885 |
“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.