Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4204844 | 0.85 | CES2 (0.53) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL4420680 | 0.81 | CTNNB1 (0.56) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL28415441 | 0.80 | CES2 (0.61) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL19707220 | 0.79 | NPSR1 (0.56) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL3286504 | 0.78 | ALDH1A1 (0.49) | CTNNB1WNT3AALDH1A1KMT2AMEN1 | |
| SCHEMBL449754 | 0.77 | NPSR1 (0.57) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL9468405 | 0.77 | ALDH1A1 (0.61) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL7951244 | 0.77 | CHRNA1 (0.43) | NPSR1CES2ALDH1A1KMT2AMEN1 | |
| SCHEMBL30758861 | 0.76 | CES2 (0.69) | NPSR1CTNNB1WNT3ACES2ALDH1A1 | |
| SCHEMBL9745666 | 0.76 | CES2 (0.59) | NPSR1CTNNB1WNT3ACES2ALDH1A1 |
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-2029575-B1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| US-7893079-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |
| US-20100056498-A1 | SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-04 | — | — | US | disclosed |
| US-7629338-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-08 | — | — | US | disclosed |
| US-7625901-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| CN-101443323-A | Substituted spirocyclic CGRP receptor antagonists | MERCK & CO INC (US) | 2009-05-27 | — | — | CN | disclosed |
| US-20080318927-A1 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2008-12-25 | — | — | US | disclosed |
| US-20070265225-A1 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2007-11-15 | — | — | 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 (3 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-20100056498-A1 | SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | QRFPR, CALCRL, EDNRB | NPSR1 112/4885CTNNB1 2939/4885WNT3A 1545/4885 |
| US-20080318927-A1 | Substituted monocyclic CGRP receptor antagonists | EDNRB, CALCRL, QRFPR | NPSR1 115/4885CTNNB1 3056/4885WNT3A 1864/4885 |
| US-20070265225-A1 | Substituted monocyclic CGRP receptor antagonists | QRFPR, CALCRL, EDNRB | NPSR1 112/4885CTNNB1 2939/4885WNT3A 1545/4885 |
“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.