Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL31491999 | 0.90 | LRRK2 (0.53) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL10085722 | 0.90 | KDR (0.61) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL18974340 | 0.90 | KDR (0.49) | KDRLRRK2IDO1MAPTKMT2A | |
| SCHEMBL469802 | 0.90 | MAPT (0.51) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL10084866 | 0.90 | LRRK2 (0.53) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL14405663 | 0.89 | KDR (0.54) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL469805 | 0.87 | KDR (0.47) | KDRLRRK2IDO1ALDH1A1MAPT | |
| SCHEMBL14075826 | 0.87 | MAPT (0.56) | KDRLRRK2ALDH1A1MAPTKDM4E | |
| SCHEMBL469876 | 0.87 | KDR (0.46) | KDRLRRK2IDO1MAPTKMT2A | |
| SCHEMBL470031 | 0.87 | MAPT (0.56) | KDRLRRK2ALDH1A1MAPTKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240175-B1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | US GOV HEALTH & HUMAN SERV (US) | 2013-01-02 | — | — | EP | disclosed |
| WO-2012033601-A1 | THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2012-03-15 | — | — | WO | disclosed |
| US-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | INSTITUTE OF ENZYMOLOGY, BIOLOGICAL RESEARCH CENTER, HUNGARIAN ACADEMY OF SCIENCES (HU) | 2010-12-16 | — | — | US | disclosed |
| US-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | INSTITUTE OF ENZYMOLOGY, BIOLOGICAL RESEARCH CENTER, HUNGARIAN ACADEMY OF SCIENCES (HU) | 2010-12-16 | — | — | US | disclosed |
| WO-2009102433-A2 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-08-20 | — | — | WO | disclosed |
| US-20080214606-A1 | Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells | The Government of the United States of America as represented by The Secretary of the Dept. of ..... (US) | 2008-09-04 | — | — | US | disclosed |
| US-20080214606-A1 | Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells | The Government of the United States of America as represented by The Secretary of the Dept. of ..... (US) | 2008-09-04 | — | — | 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-20080214606-A1 | Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells | ABCC1, MCL1, DLD | KDR 3525/4885LRRK2 3520/4885IDO1 4815/4885 |
| US-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | ABCC1, ABCB1, ABCC2 | KDR 3707/4885LRRK2 3648/4885IDO1 4305/4885 |
“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.