Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 13/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6095785 | 0.93 | CALCA (0.53) | CALCACYP2C9METKCNE1CCR1 | |
| SCHEMBL6093434 | 0.91 | CALCA (0.45) | CALCACYP2C9METKCNE1CCR1 | |
| SCHEMBL6094406 | 0.90 | CALCA (0.52) | CALCA | |
| Bms-707035 SCHEMBL6095261 | 0.88 | CALCA (0.63) | CALCACYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL6096315 | 0.87 | CALCA (0.56) | CALCACYP2C9METKCNE1CCR1 | |
| SCHEMBL6094826 | 0.86 | CALCA (0.71) | CALCACYP2C9 | |
| SCHEMBL6094615 | 0.86 | CALCA (0.66) | CALCACYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL6094573 | 0.85 | CALCA (0.54) | CALCACYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL6094886 | 0.85 | CALCA (0.53) | CALCACYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL6092620 | 0.84 | CALCA (0.47) | CALCA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7135467-B2 | Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | claimed |
| US-20040204498-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | US | claimed |
| US-7135467-B2 | Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | disclosed |
| US-20040204498-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | 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-20040204498-A1 | HIV integrase inhibitors | IMPDH1, TYMP, REV1 | CALCA 4716/4885CYP2C9 701/4885MET 4557/4885 |
“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.