Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 8/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PLK4 | O00444 | 1/20 | 0.52 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.52 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | PRKCG | P05129 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | AXL | P30530 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28679366 | 0.84 | GAA (0.71) | GAAALDH1A1LMNAALOX12PKM | |
| SCHEMBL12237514 | 0.84 | GAA (0.62) | GAAALDH1A1LMNAPKMMEN1 | |
| SCHEMBL632848 | 0.82 | MEN1 (0.54) | ALDH1A1LMNAALOX12MEN1KMT2A | |
| SCHEMBL31090335 | 0.81 | GAA (0.61) | GAAALDH1A1LMNAPKMMAP4K4 | |
| SCHEMBL5100819 | 0.80 | ALDH1A1 (0.51) | GAAALDH1A1LMNAALOX12MEN1 | |
| SCHEMBL31606832 | 0.80 | GAA (0.50) | GAAALDH1A1LMNAALOX12MEN1 | |
| SCHEMBL2108776 | 0.79 | GAA (0.44) | GAAALDH1A1LMNAALOX12MEN1 | |
| SCHEMBL5097622 | 0.79 | ALDH1A1 (0.50) | GAAALDH1A1LMNAALOX12MEN1 | |
| SCHEMBL469849 | 0.79 | NOX1 (0.84) | GAAALDH1A1LMNAALOX12PKM | |
| SCHEMBL19277757 | 0.78 | KMT2A (0.74) | GAAALDH1A1LMNAALOX12NOX1 |
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-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 |
| 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 |
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-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | ABCC1, ABCB1, ABCC2 | GAA 231/4885ALDH1A1 1607/4885LMNA 3303/4885 |
“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.