Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL418928 | 0.89 | KCNE1 (0.50) | KCNE1CCR1KCNQ1KCNH2CYP2C9 | |
| SCHEMBL416417 | 0.85 | KCNH2 (0.40) | KCNE1CCR1KCNQ1KCNH2CYP2C9 | |
| SCHEMBL10143664 | 0.79 | KCNH2 (0.40) | KCNH2CYP2C9TSHRMEN1LMNA | |
| Hydrochloric Acid SCHEMBL420291 | 0.79 | KCNH2 (0.39) | KCNH2CYP2C9TSHRMEN1LMNA | |
| SCHEMBL10144297 | 0.78 | KCNH2 (0.41) | KCNH2CYP2C9TSHRMEN1LMNA | |
| Hydrochloric Acid SCHEMBL418376 | 0.78 | KCNH2 (0.41) | KCNH2CYP2C9TSHRMEN1LMNA | |
| SCHEMBL419920 | 0.76 | CYP2C9 (0.42) | KCNH2CYP2C9TSHRMEN1LMNA | |
| SCHEMBL415591 | 0.76 | CYP2C9 (0.56) | KCNE1CCR1KCNQ1KCNH2CYP2C9 | |
| SCHEMBL422080 | 0.75 | KCNH2 (0.50) | KCNE1CCR1KCNQ1KCNH2CYP2C9 | |
| SCHEMBL63268 | 0.75 | KCNH2 (0.53) | KCNE1CCR1KCNQ1KCNH2CYP2C9 |
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-20120022045-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | VENKATRAMAN SHANKAR (US) | 2012-01-26 | — | — | US | disclosed |
| US-20120022045-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | VENKATRAMAN SHANKAR (US) | 2012-01-26 | — | — | US | disclosed |
| WO-2010088167-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | 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-20120022045-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | CCND3, CDK3, CDK2 | KCNE1 2089/4885CCR1 976/4885KCNQ1 1174/4885 |
“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.