Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADM2 | Q7Z4H4 | 5/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | RAMP1 | O60894 | 4/20 | 0.37 |
| ▸ | CALCB | P10092 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16471990 | 0.86 | CALCRL (0.44) | BACE1CALCRLSMN1; SMN2PDK2PDK4 | |
| SCHEMBL261191 | 0.84 | BACE1 (0.44) | BACE1CALCRLSMN1; SMN2LMNAMAPT | |
| SCHEMBL12622653 | 0.83 | ADM2 (0.35) | CALCRLADM2RAMP1CALCB | |
| SCHEMBL12622651 | 0.83 | CALCRL (0.35) | CALCRLADM2RAMP1CALCB | |
| SCHEMBL16661410 | 0.82 | LMNA (0.49) | BACE1CALCRLSMN1; SMN2PDK2LMNA | |
| SCHEMBL12655442 | 0.82 | SMN1; SMN2 (0.45) | BACE1CALCRLSMN1; SMN2PDK2PDK4 | |
| SCHEMBL12622654 | 0.82 | CALCRL (0.40) | CALCRLADM2RAMP1CALCB | |
| SCHEMBL16658941 | 0.82 | SMN1; SMN2 (0.44) | BACE1CALCRLSMN1; SMN2PDK2PDK4 | |
| SCHEMBL12622804 | 0.81 | ADM2 (0.54) | CALCRLADM2RAMP1CALCB | |
| SCHEMBL15935549 | 0.79 | BACE1 (0.44) | BACE1CALCRLSMN1; SMN2PDK2PDK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | 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 (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-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | BDKRB2, BDKRB1, CCKBR | BACE1 490/4885CALCRL 15/4885SMN1; SMN2 4207/4885 |
“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.