Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL600090 | 0.85 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL31059495 | 0.85 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL2702542 | 0.81 | IDO1 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL31059813 | 0.75 | SLC6A2 (0.43) | CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL599767 | 0.75 | SLC6A2 (0.43) | CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31205826 | 0.75 | CTSK (0.53) | CYP2C9CYP2C19CYP3A4MEN1CYP1A2 | |
| SCHEMBL27655976 | 0.73 | CYP3A4 (0.47) | CYP2C9CYP2C19CYP3A4PSEN1PSEN2 | |
| SCHEMBL416422 | 0.73 | OPRM1 (0.50) | CYP2C9CYP2C19CYP3A4PSEN1PSEN2 | |
| SCHEMBL10449491 | 0.73 | PKM (0.40) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL15003 | 0.72 | TSHR (0.52) | CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3 |
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 |
| EP-2391212-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | 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 | CYP2C9 1960/4885CYP2C19 2327/4885CYP3A4 932/4885 |
“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.