Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30417032 | 0.85 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL17181780 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL76745 | 0.83 | ALDH1A1 (0.95) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29466231 | 0.83 | ALDH1A1 (0.95) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL23115 | 0.81 | CA2 (0.67) | ALDH1A1CYP3A4TSHRMEN1MAPT | |
| Hydrochloric Acid SCHEMBL3296264 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Water SCHEMBL28213911 | 0.81 | ALDH1A1 (0.91) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL4381317 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL272888 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Nitrogen SCHEMBL28332729 | 0.79 | ALDH1A1 (0.88) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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 4 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 |
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-20150297587-A1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | MLKL, MARCKS, MAP3K4 | ALDH1A1 4296/4885CYP3A4 2342/4885TDP1 816/4885 |
“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.