Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30688496 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL2078225 | 0.84 | ALDH1A1 (0.50) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL22049113 | 0.76 | ALDH1A1 (0.50) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL4794889 | 0.75 | ALDH1A1 (0.48) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Iodide SCHEMBL30529346 | 0.74 | ALDH1A1 (0.48) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Iodide SCHEMBL20571579 | 0.74 | ALDH1A1 (0.48) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL5894250 | 0.71 | ALDH1A1 (0.43) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL31187649 | 0.71 | EGFR (0.48) | — | |
| SCHEMBL232638 | 0.69 | ACHE (0.46) | — | |
| SCHEMBL29358798 | 0.69 | ACHE (0.46) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465625-B1 | SOLUBILIZED TOPOISOMERASE POISONS | UNIV RUTGERS (US) | 2010-02-03 | — | — | EP | claimed |
| CN-104870459-B | Metal complex | 默克专利有限公司 | 2018-06-26 | — | — | CN | disclosed |
| US-20150333280-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2015-11-19 | — | — | US | disclosed |
| CN-104870459-A | Metal complexes | MERCK PATENT GMBH | 2015-08-26 | — | — | CN | disclosed |
| EP-2649078-A1 | 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | Council of Scientific & Industrial Research (IN) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076942-A1 | 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-06-14 | — | — | WO | disclosed |
| WO-2012015901-A1 | METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES | GENZYME CORPORATION (US) | 2012-02-02 | — | — | WO | disclosed |
| WO-2010088544-A1 | METHODS TO TREAT CANCER | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2010-08-05 | — | — | WO | disclosed |
| US-20060156485-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2006-07-20 | — | — | 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 (2 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-20150333280-A1 | Metal Complexes | SOD1, AP1M1, AP3M1 | ALDH1A1 3721/4885NPC1 3516/4885POLB 1266/4885 |
| US-20060156485-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | KRT18, TUBB6, DNMT1 | ALDH1A1 385/4885NPC1 4475/4885POLB 584/4885 |
“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.