Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 11/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046614 | 0.92 | CALCRL (0.56) | CALCRLCTSLCTSBPARP1CASP3 | |
| SCHEMBL4050969 | 0.92 | CALCRL (0.56) | CALCRLCTSLCTSBPARP1CASP3 | |
| SCHEMBL2214512 | 0.92 | CALCRL (0.61) | CALCRLPARP1CASP3 | |
| SCHEMBL2210320 | 0.91 | CALCRL (0.52) | CALCRLPARP1CASP3 | |
| SCHEMBL2209816 | 0.90 | CALCRL (0.60) | CALCRLCTSLCTSBPARP1 | |
| SCHEMBL2211079 | 0.90 | CALCRL (0.59) | CALCRLPARP1CASP3 | |
| SCHEMBL2211790 | 0.90 | CALCRL (0.56) | CALCRLPARP1CASP3 | |
| SCHEMBL2207459 | 0.89 | CALCRL (0.62) | CALCRLPARP1CASP3 | |
| SCHEMBL2210477 | 0.89 | CALCRL (0.55) | CALCRLPARP1CASP3 | |
| SCHEMBL2213969 | 0.88 | CALCRL (0.61) | CALCRLCTSLCTSBPARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-20 | — | — | US | disclosed |
| US-7384930-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-10 | — | — | 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-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | CALCR, BDKRB2, CALCRL | CALCRL 3/4885CTSL 771/4885CTSB 271/4885 |
“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.