Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 4/20 | 0.35 |
| ▸ | CALCA | P06881 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL63762 | 0.92 | KCNH2 (0.48) | KCNH2CYP2C9ALDH1A1F2KCNE1 | |
| SCHEMBL62603 | 0.92 | KCNH2 (0.48) | KCNH2CYP2C9ALDH1A1F2KCNE1 | |
| SCHEMBL63631 | 0.91 | KCNH2 (0.45) | KCNH2CYP2C9ALDH1A1F2KCNE1 | |
| SCHEMBL62825 | 0.91 | KCNH2 (0.47) | KCNH2CYP2C9ALDH1A1F2KCNE1 | |
| SCHEMBL64070 | 0.91 | KCNH2 (0.47) | KCNH2CYP2C9ALDH1A1KCNE1CCR1 | |
| SCHEMBL64080 | 0.90 | KCNH2 (0.46) | KCNH2CYP2C9ALDH1A1KCNE1CCR1 | |
| SCHEMBL63389 | 0.90 | CYP2C9 (0.49) | KCNH2CYP2C9ALDH1A1F2KCNE1 | |
| SCHEMBL64388 | 0.90 | KCNH2 (0.49) | KCNH2CYP2C9ALDH1A1KCNE1CCR1 | |
| SCHEMBL64162 | 0.90 | KCNH2 (0.49) | KCNH2CYP2C9ALDH1A1KCNE1CCR1 | |
| SCHEMBL62823 | 0.90 | KCNH2 (0.46) | KCNH2CYP2C9ALDH1A1KCNE1CCR1 |
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 5 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-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 602/4885ALDH1A1 539/4885 |
“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.