Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.46 |
| ▸ | SNCA | P37840 | 4/20 | 0.46 |
| ▸ | RRM1 | P23921 | 1/20 | 0.45 |
| ▸ | RRM2 | P31350 | 1/20 | 0.45 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL469858 | 0.89 | CA1 (0.54) | TTRLRRK2KMT2AMAPTALDH1A1 | |
| SCHEMBL31492004 | 0.88 | KMT2A (0.56) | TTRLRRK2KMT2AMAPTALDH1A1 | |
| SCHEMBL469856 | 0.87 | ALDH1A1 (0.51) | TTRLRRK2KMT2AMAPTALDH1A1 | |
| SCHEMBL469854 | 0.86 | KDR (0.56) | LRRK2KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL13008061 | 0.85 | CA12 (0.46) | TTRLRRK2KMT2AMAPTALDH1A1 | |
| SCHEMBL455700 | 0.84 | ALDH1A1 (0.47) | TTRLRRK2KMT2AMAPTALDH1A1 | |
| SCHEMBL31491999 | 0.84 | LRRK2 (0.53) | LRRK2KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL10084866 | 0.84 | LRRK2 (0.53) | LRRK2KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL10085722 | 0.84 | KDR (0.61) | LRRK2MAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL18974340 | 0.84 | KDR (0.49) | LRRK2KMT2AMAPTNPC1GAA |
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 5 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 |
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 | TTR 4620/4885LRRK2 3648/4885KMT2A 4279/4885 |
“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.