Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CALCA | P06881 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL87854 | 0.89 | CYP2C9 (0.58) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL87844 | 0.86 | KCNH2 (0.52) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL87295 | 0.85 | KCNH2 (0.51) | CYP2C9KCNH2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL13691714 | 0.85 | CYP2C9 (0.52) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL87322 | 0.84 | KCNH2 (0.51) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL13691708 | 0.84 | KCNH2 (0.51) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL13691718 | 0.83 | CYP2C9 (0.51) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL13691688 | 0.83 | CYP2C9 (0.51) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL13691801 | 0.82 | CYP2C9 (0.49) | CYP2C9KCNH2MAPTKCNE1CCR1 | |
| SCHEMBL13691813 | 0.82 | CYP2C9 (0.51) | CYP2C9KCNH2MAPTKCNE1CCR1 |
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-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | 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-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | CYP2C9 602/4885KCNH2 3969/4885MAPT 2585/4885 |
“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.