Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 8/20 | 0.44 |
| ▸ | GRM5 | P41594 | 7/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4221297 | 0.87 | QDPR (0.36) | JAK1PDE10A | |
| SCHEMBL4219836 | 0.86 | PDK4 (0.46) | PDK4JAK1SCN9AGRM1GRM5 | |
| SCHEMBL24062594 | 0.79 | GRM1 (0.46) | PDK4SCN9AGRM1GRM5PDE10A | |
| SCHEMBL31180227 | 0.79 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL20919267 | 0.78 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL31180085 | 0.78 | PDK4 (0.55) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL31180111 | 0.78 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL31180279 | 0.78 | PDK4 (0.55) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL31180211 | 0.78 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL30086990 | 0.78 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013214-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-06-24 | — | — | EP | disclosed |
| EP-2013214-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-06-24 | — | — | EP | disclosed |
| US-7470680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| US-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | US | disclosed |
| US-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | US | disclosed |
| US-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | 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-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | CALCR, BDKRB2, CALCRL | PDK4 3293/4885JAK1 3157/4885SCN9A 932/4885 |
“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.