Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL580906 | 0.76 | CA1 (0.55) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL3047027 | 0.74 | CYP3A4 (0.56) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL1277339 | 0.74 | SELL (0.39) | CA1CA2ALDH1A1GAAKDM4E | |
| SCHEMBL11448 | 0.73 | ALDH1A1 (0.36) | ALDH1A1MAPTACHECYP3A4 | |
| SCHEMBL8840934 | 0.72 | CA1 (0.50) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL17181762 | 0.71 | ABL1 (0.47) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL1277386 | 0.70 | BACE1 (0.47) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL364636 | 0.70 | ALDH1A1 (0.44) | ALDH1A1ACHECYP3A4CYP2C9MEN1 | |
| SCHEMBL3679584 | 0.70 | CA1 (0.48) | CA1CA2PTGS1PTGS2ALOX5 | |
| SCHEMBL1277219 | 0.70 | ESR1 (0.36) | ESR1ESR2 |
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-2925319-B1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | UNIV ROCHESTER (US) | 2019-01-09 | — | — | EP | disclosed |
| EP-3037421-A1 | MLK INHIBITORS AND METHODS OF USE | University Of Rochester (US) | 2016-06-29 | — | — | EP | disclosed |
| EP-2379561-B1 | MLK INHIBITORS AND METHODS OF USE | UNIV ROCHESTER (US) | 2015-11-04 | — | — | EP | disclosed |
| US-20150297587-A1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-10-22 | — | — | US | disclosed |
| US-20120088737-A2 | NOVEL ACYL GUANIDINE DERIVATIVES | AJINOMOTO CO., INC (JP) | 2012-04-12 | — | — | US | disclosed |
| US-20110082109-A1 | NOVEL ACYL GUANIDINE DERIVATIVES | AJINOMOTO CO., INC. (JP) | 2011-04-07 | — | — | 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 (3 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-20150297587-A1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | MLKL, MARCKS, MAP3K4 | CA1 4699/4885CA2 4386/4885PTGS1 4713/4885 |
| US-20110082109-A1 | NOVEL ACYL GUANIDINE DERIVATIVES | SLC9A3, NHERF1, SLC9A2 | CA1 3641/4885CA2 516/4885PTGS1 1091/4885 |
| US-20120088737-A2 | NOVEL ACYL GUANIDINE DERIVATIVES | SLC9A3, NHERF1, SLC9A2 | CA1 3641/4885CA2 516/4885PTGS1 1091/4885 |
“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.