Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1986924 | 0.82 | MAPT (0.40) | BRD4CREBBPALDH1A1TP53KDM4E | |
| SCHEMBL5540378 | 0.79 | BRD4 (0.35) | BRD4CREBBPALDH1A1TP53KDM4E | |
| SCHEMBL379723 | 0.69 | CALCRL (0.46) | BRD4CREBBP | |
| SCHEMBL2309082 | 0.67 | ATM (0.39) | ALDH1A1TP53BACE1HTR2CHTR2B | |
| SCHEMBL4032622 | 0.66 | ALDH1A1 (0.47) | BRD4CREBBPALDH1A1MAPT | |
| SCHEMBL4032625 | 0.66 | QPCT (0.43) | BRD4CREBBPALDH1A1KDM4EMAPT | |
| SCHEMBL23674746 | 0.63 | NOTUM (0.45) | ALDH1A1KDM4EMAPTKDM4CEHMT2 | |
| SCHEMBL22060507 | 0.62 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL2309569 | 0.60 | ATM (0.52) | ALDH1A1MAPTBACE1 | |
| SCHEMBL9419018 | 0.58 | RXFP1 (0.41) | BRD4CREBBPALDH1A1HTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2408304-A1 | CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| EP-1951051-A2 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1794146-A2 | TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2007061694-A2 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| US-7189722-B2 | Aryl spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-20060189593-A1 | Aryl spirohydantoin cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-08-24 | — | — | US | disclosed |
| WO-2006031676-A2 | TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | 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 (1 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-20060189593-A1 | Aryl spirohydantoin cgrp receptor antagonists | CALCRL, BDKRB2, MRGPRX1 | BRD4 895/4885CREBBP 1146/4885ALDH1A1 1249/4885 |
“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.