Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 8/20 | 0.37 |
| ▸ | CNR1 | P21554 | 5/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL52913 | 0.93 | CYP2C9 (0.44) | CYP2C9KCNH2CXCR3 | |
| SCHEMBL63919 | 0.91 | CYP2C9 (0.46) | CYP2C9KCNH2 | |
| SCHEMBL52496 | 0.91 | LIPG (0.43) | — | |
| SCHEMBL63541 | 0.90 | CYP2C9 (0.40) | CYP2C9KCNH2P2RX7 | |
| SCHEMBL64292 | 0.90 | CYP2C9 (0.41) | CYP2C9KCNH2HRH3 | |
| SCHEMBL64597 | 0.90 | CYP2C9 (0.47) | CYP2C9KCNH2 | |
| SCHEMBL52811 | 0.89 | CYP2C9 (0.46) | CYP2C9KCNH2CXCR3P2RX7 | |
| SCHEMBL63518 | 0.89 | CYP2C9 (0.46) | CYP2C9KCNH2 | |
| SCHEMBL63545 | 0.88 | CYP2C9 (0.46) | CYP2C9KCNH2 | |
| SCHEMBL52664 | 0.88 | CYP2C9 (0.55) | CYP2C9KCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | 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 |
| 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 3969/4885CXCR3 2131/4885 |
“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.