Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29517242 | 0.70 | — | — | |
| SCHEMBL242542 | 0.70 | — | — | |
| SCHEMBL213709 | 0.70 | PARP1 (0.42) | PARP1PNMTCD44MAOBTRPA1 | |
| SCHEMBL29696017 | 0.70 | PARP1 (0.42) | PARP1PNMTCD44MAOBTRPA1 | |
| Hydrochloric Acid SCHEMBL31416539 | 0.69 | TRPA1 (0.43) | PARP1MAOBTRPA1PLAU | |
| Hydrochloric Acid SCHEMBL2251205 | 0.69 | TRPA1 (0.43) | PARP1MAOBTRPA1PLAU | |
| SCHEMBL27462406 | 0.69 | — | — | |
| SCHEMBL6488209 | 0.68 | PARP1 (0.41) | PARP1PNMTCD44MAOBTRPA1 | |
| SCHEMBL56690 | 0.67 | TRPA1 (0.42) | MAOBTRPA1HTR2CNISCH | |
| SCHEMBL19744291 | 0.67 | PARP1 (0.43) | PARP1PNMTCD44MAOBOXTR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| WO-2010021919-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | 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 (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-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, CALCRL, BDKRB2 | PARP1 2366/4885PNMT 2270/4885CD44 4664/4885 |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CALCRL | PARP1 2384/4885PNMT 2276/4885CD44 4760/4885 |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | CALCRL, CCKBR, CCKAR | PARP1 2357/4885PNMT 1385/4885CD44 4830/4885 |
“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.