Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL4489034 | 0.92 | AKR1B1 (0.38) | AKR1B1MAPK1HTR2AGRM2ENPP2 | |
| SCHEMBL4483837 | 0.91 | AKR1B1 (0.36) | AKR1B1GPR52MAPK1HTR2AGRM2 | |
| SCHEMBL4490977 | 0.90 | AKR1B1 (0.42) | AKR1B1 | |
| SCHEMBL4495729 | 0.89 | AKR1B1 (0.38) | AKR1B1AKR1B10AKR1A1ENPP2 | |
| SCHEMBL4489874 | 0.88 | AKR1B1 (0.35) | AKR1B1MAPK1HTR2AGRM2PIK3CA | |
| SCHEMBL4493645 | 0.88 | AKR1B1 (0.35) | AKR1B1MAPK1AKR1B10HTR2AGRM2 | |
| SCHEMBL4481021 | 0.88 | AKR1B1 (0.35) | AKR1B1HTR2AGRM2 | |
| SCHEMBL4488781 | 0.88 | AKR1B1 (0.35) | AKR1B1HTR2AGRM2ENPP2 | |
| SCHEMBL31060990 | 0.87 | AKR1B1 (0.36) | AKR1B1MAPK1HTR2AGRM2PIK3CA | |
| SCHEMBL4479511 | 0.87 | AKR1B1 (0.36) | AKR1B1MAPK1HTR2AGRM2PIK3CA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070179196-A1 | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-02 | — | — | US | claimed |
| EP-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | claimed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | claimed |
| US-7598264-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20070179196-A1 | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-02 | — | — | US | 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-20070179196-A1 | Hiv integrase inhibitors | REV1, TYMP, POLR2H | AKR1B1 2248/4885GPR52 3479/4885GRIN1 2622/4885 |
“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.