Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL457447 | 0.84 | MAOA (0.34) | LRRK2KMT2AAGTR1KDRKDM4E | |
| SCHEMBL31491999 | 0.83 | LRRK2 (0.53) | LRRK2KMT2AAGTR1IDO1KDR | |
| SCHEMBL10084866 | 0.83 | LRRK2 (0.53) | LRRK2KMT2AAGTR1IDO1KDR | |
| SCHEMBL469854 | 0.80 | KDR (0.56) | LRRK2KMT2AAGTR1IDO1KDR | |
| SCHEMBL10084818 | 0.77 | KMT2A (0.53) | LRRK2KMT2AAGTR1IDO1KDR | |
| SCHEMBL31492045 | 0.77 | LRRK2 (0.52) | LRRK2KDRMAPT | |
| SCHEMBL18974994 | 0.77 | LRRK2 (0.52) | LRRK2KDRMAPT | |
| SCHEMBL10085722 | 0.76 | KDR (0.61) | LRRK2IDO1KDRMAPTGALR3 | |
| SCHEMBL469802 | 0.76 | MAPT (0.51) | LRRK2KMT2AIDO1KDRKDM4E | |
| SCHEMBL18974340 | 0.76 | KDR (0.49) | LRRK2KMT2AAGTR1IDO1KDR |
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 | LRRK2 3648/4885KMT2A 4279/4885AGTR1 926/4885 |
“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.