Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31492064 | 0.93 | KDR (0.50) | KDRCA12CA1CA9MAPT | |
| SCHEMBL469859 | 0.93 | CA1 (0.50) | KDRCA12CA1CA9MAPT | |
| SCHEMBL13008097 | 0.91 | KDR (0.54) | KDRCA12CA1CA9MAPT | |
| SCHEMBL10085721 | 0.89 | KDR (0.52) | KDRCA12CA1CA9MAPT | |
| SCHEMBL469845 | 0.89 | AGTR1 (0.57) | KDRCA12CA1CA9MAPT | |
| SCHEMBL31492055 | 0.89 | LRRK2 (0.52) | KDRCA12CA1CA9MAPT | |
| SCHEMBL13061438 | 0.88 | KDR (0.51) | KDRCA12CA1CA9MAPT | |
| SCHEMBL31492015 | 0.87 | KDR (0.48) | KDRCA12CA1CA9MAPT | |
| SCHEMBL31492111 | 0.86 | KDR (0.50) | KDRCA12CA1CA9MAPT | |
| SCHEMBL13008061 | 0.85 | CA12 (0.46) | CA12CA1CA9MAPTMEN1 |
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 3525/4885CA12 2935/4885CA1 4287/4885 |
| US-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | ABCC1, ABCB1, ABCC2 | KDR 3707/4885CA12 4794/4885CA1 4780/4885 |
“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.