Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CALCA | P06881 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL52213 | 0.93 | KCNH2 (0.40) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52146 | 0.92 | KCNH2 (0.42) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52191 | 0.91 | KCNH2 (0.45) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52163 | 0.91 | KCNH2 (0.43) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52167 | 0.90 | KCNH2 (0.45) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52148 | 0.89 | KCNH2 (0.47) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52808 | 0.89 | CYP2C9 (0.49) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52544 | 0.88 | KCNH2 (0.45) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL52277 | 0.88 | CYP2C9 (0.48) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL51942 | 0.88 | CYP2C9 (0.49) | KCNH2CYP2C9KCNE1CCR1KCNQ1 |
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 7 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-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| 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 |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | 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 | KCNH2 3969/4885CYP2C9 602/4885KCNE1 4273/4885 |
“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.