Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3251344 | 0.88 | DRD4 (0.39) | DRD4TAAR1KDM4ECHRM2CHRM5 | |
| SCHEMBL2099309 | 0.86 | ACHE (0.47) | DRD4KDM4ECHRM2CHRM5CHRM3 | |
| SCHEMBL1814017 | 0.82 | KDM4E (0.48) | KDM4ECHRM2CHRM5CHRM3ALDH1A1 | |
| SCHEMBL16313687 | 0.82 | DRD4 (0.46) | DRD4TAAR1KDM4ECHRM2CHRM5 | |
| SCHEMBL1813802 | 0.81 | ALDH1A1 (0.55) | DRD4KDM4EALDH1A1MEN1MAPK1 | |
| SCHEMBL1813803 | 0.81 | ALDH1A1 (0.55) | DRD4KDM4EALDH1A1MEN1MAPK1 | |
| SCHEMBL17506476 | 0.80 | DRD4 (0.42) | DRD4TAAR1KDM4ECHRM2CHRM5 | |
| SCHEMBL17870707 | 0.80 | DRD4 (0.42) | DRD4KDM4EALDH1A1GRIN2B | |
| SCHEMBL17870765 | 0.80 | DRD4 (0.40) | DRD4KDM4ECHRM2CHRM5CHRM3 | |
| SCHEMBL18919693 | 0.79 | BCHE (0.46) | DRD4KDM4EALDH1A1MEN1KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163737-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | disclosed |
| US-7834000-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090176769-A1 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-09 | — | — | US | disclosed |
| EP-2027106-A2 | CGRP RECEPTOR ANTAGONISTS | Vertex Pharmaceuticals Incorporated (US) | 2009-02-25 | — | — | EP | disclosed |
| WO-2009020470-A2 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-12 | — | — | WO | disclosed |
| EP-1912653-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| US-20080004261-A1 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-03 | — | — | US | disclosed |
| WO-2007146349-A2 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-12-21 | — | — | WO | disclosed |
| EP-1861399-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| WO-2007016087-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006099268-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-09-21 | — | — | 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-20090176769-A1 | CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, GRPR | DRD4 2723/4885TAAR1 153/4885KDM4E 4442/4885 |
| US-20080004261-A1 | CGRP receptor antagonists | CALCRL, CALCR, GRPR | DRD4 2723/4885TAAR1 153/4885KDM4E 4442/4885 |
“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.