Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3989585 | 0.92 | PKM (0.35) | CNR2ALDH1A1HSD17B10PKMPKLR | |
| SCHEMBL3985794 | 0.87 | PKM (0.37) | CNR2PKMPKLRMAPTSIGMAR1 | |
| SCHEMBL1383893 | 0.87 | PKM (0.37) | CNR2RAB9APKMPKLRMAPT | |
| SCHEMBL3983941 | 0.85 | ADRA1A (0.35) | CNR2PKMPKLR | |
| SCHEMBL3985379 | 0.85 | PKM (0.35) | CNR2RAB9AALDH1A1PKMPKLR | |
| SCHEMBL3985842 | 0.84 | PIK3CD (0.39) | CNR2ALDH1A1IDO1TDO2PIK3CA | |
| SCHEMBL3985851 | 0.84 | KCNH2 (0.36) | CNR2GAAALDH1A1PKMPKLR | |
| SCHEMBL3984969 | 0.84 | PKM (0.38) | CNR2RAB9AALDH1A1PKMPKLR | |
| SCHEMBL3985422 | 0.84 | PKM (0.36) | CNR2PKMPKLRKDM4EMAPT | |
| SCHEMBL1384819 | 0.84 | CNR2 (0.35) | CNR2GAAPDE5AALDH1A1MET |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4824673-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | claimed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | claimed |
| EP-1756114-A2 | HIV INTEGRASE INHIBITORS | Merck and Co., Inc. (US) | 2007-02-28 | — | — | EP | claimed |
| WO-2005110414-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | claimed |
| EP-1756114-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-19 | — | — | EP | disclosed |
| EP-1756114-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-19 | — | — | EP | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |
| EP-1756114-A2 | HIV INTEGRASE INHIBITORS | Merck and Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005110414-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | 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-20080287394-A1 | Hiv Integrase Inhibitors | DHPS, DPYD, TYMP | CNR2 4598/4885GAA 3093/4885NPC1 3818/4885 |
“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.