Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8214435 | 0.88 | CYP3A4 (0.48) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL306849 | 0.88 | ITGB3 (0.52) | AURKARPS6KB1CYP3A4CYP2C19ITGB3 | |
| SCHEMBL3929633 | 0.87 | SIRT2 (0.52) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL14987466 | 0.86 | AURKA (0.53) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL31370757 | 0.86 | AURKA (0.50) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL13801959 | 0.85 | CYP3A4 (0.50) | AURKARPS6KB1CYP3A4CYP2C19SIRT2 | |
| SCHEMBL7156537 | 0.85 | MGLL (0.52) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL27498370 | 0.85 | CYP3A4 (0.50) | AURKARPS6KB1CYP3A4CYP2C19CA1 | |
| SCHEMBL13623152 | 0.85 | CYP3A4 (0.50) | AURKARPS6KB1CYP3A4CYP2C19SIRT2 | |
| SCHEMBL30844047 | 0.85 | CYP3A4 (0.50) | AURKARPS6KB1CYP3A4CYP2C19SIRT2 |
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-20190233456-A1 | METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-08-01 | — | — | US | disclosed |
| EP-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| CN-1414951-A | Drug discharge pump inhibitor | FUNDAMENTAL THERAPEUTICAL INC (US) | 2003-04-30 | — | — | CN | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | 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-20190233456-A1 | METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF | PRMT3, GRIN3A, RAMP3 | AURKA 2742/4885RPS6KB1 2365/4885CYP3A4 255/4885 |
“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.