Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | DRD4 | P21917 | 3/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3243860 | 1.00 | TSHR (0.76) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL7144268 | 0.83 | CYP2D6 (0.67) | TSHRCYP2D6CYP2C9DRD4DRD2 | |
| SCHEMBL25922266 | 0.82 | YAP1 (0.58) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL19974620 | 0.80 | YAP1 (0.63) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL19974621 | 0.80 | YAP1 (0.63) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL9587265 | 0.80 | DRD4 (0.61) | TSHRCYP2D6CYP2C9DRD4DRD2 | |
| SCHEMBL13453085 | 0.79 | CYP2D6 (0.62) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL9586372 | 0.78 | DRD4 (0.57) | TSHRCYP2D6CYP2C9DRD4DRD2 | |
| SCHEMBL13453086 | 0.77 | TSHR (0.60) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL8242092 | 0.77 | CYP2D6 (0.56) | TSHRCYP2D6CYP2C9CYP3A4CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | 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-20080125413-A1 | Cgrp Receptor Antagonists | CALCRL, NPY1R, CCKBR | TSHR 361/4885CYP2D6 1683/4885CYP2C9 2017/4885 |
“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.