Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 4/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | GLS | O94925 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.41 |
| ▸ | CTSD | P07339 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6092615 | 0.92 | CALCA (0.55) | CALCAABCB1ROCK2GLSROCK1 | |
| SCHEMBL6095589 | 0.90 | CALCA (0.47) | CALCAMMP13 | |
| SCHEMBL6093486 | 0.88 | CALCA (0.51) | CALCAROCK2 | |
| SCHEMBL6094840 | 0.87 | CALCA (0.61) | CALCA | |
| SCHEMBL6092467 | 0.86 | CALCA (0.49) | CALCAMMP13 | |
| SCHEMBL6094025 | 0.85 | CALCA (0.49) | CALCAROCK2 | |
| SCHEMBL6093561 | 0.85 | CALCA (0.54) | CALCA | |
| SCHEMBL6092757 | 0.83 | CALCA (0.44) | CALCA | |
| SCHEMBL6096329 | 0.83 | CALCA (0.47) | CALCANAMPT | |
| SCHEMBL6094217 | 0.83 | CALCA (0.43) | 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 4716/4885ABCB1 198/4885ROCK2 563/4885 |
“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.