Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 8/20 | 0.38 |
| ▸ | MMP10 | P09238 | 3/20 | 0.33 |
| ▸ | MMP8 | P22894 | 3/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | CCR3 | P51677 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL52672 | 0.94 | CYP2C9 (0.48) | CYP2C9KCNH2MMP13KCNE1CCR1 | |
| SCHEMBL52498 | 0.92 | CYP2C9 (0.47) | CYP2C9KCNH2MMP13KCNE1CCR1 | |
| SCHEMBL53150 | 0.91 | CYP2C9 (0.39) | CYP2C9KCNH2MMP13MMP10MMP8 | |
| SCHEMBL87417 | 0.91 | CYP2C9 (0.44) | CYP2C9KCNH2MMP13MMP10MMP8 | |
| SCHEMBL52062 | 0.90 | CYP2C9 (0.46) | CYP2C9KCNH2MMP13MMP10LMNA | |
| SCHEMBL53197 | 0.90 | CYP2C9 (0.58) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL52304 | 0.89 | CYP2C9 (0.40) | CYP2C9KCNH2MMP13MMP10MMP8 | |
| SCHEMBL10143689 | 0.89 | CYP2C9 (0.44) | CYP2C9KCNH2MMP13MMP10MMP8 | |
| SCHEMBL53118 | 0.88 | CYP2C9 (0.39) | CYP2C9KCNH2MMP13SCDKDM4E | |
| SCHEMBL52457 | 0.87 | CYP2C9 (0.37) | CYP2C9KCNH2MMP13MAPT |
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 12 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 | claimed |
| 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-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| 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 |
| 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 (2 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 1960/4885KCNH2 2502/4885MMP13 4141/4885 |
| US-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | CYP2C9 602/4885KCNH2 3969/4885MMP13 4137/4885 |
“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.