Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.51 |
| ▸ | IDO1 | P14902 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30455414 | 1.00 | LRRK2 (0.51) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL10085220 | 1.00 | LRRK2 (0.51) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL98437 | 0.86 | KMT2A (0.58) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL10084821 | 0.86 | KMT2A (0.58) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL9853498 | 0.86 | LRRK2 (0.50) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL19586520 | 0.85 | KMT2A (0.57) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL5820588 | 0.84 | LRRK2 (0.51) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL26384716 | 0.83 | LRRK2 (0.50) | LRRK2IDO1KMT2AAGTR1KDR | |
| SCHEMBL19449866 | 0.83 | LRRK2 (0.57) | LRRK2IDO1KMT2AAGTR1KDR | |
| Hydrochloric Acid SCHEMBL17560972 | 0.81 | LRRK2 (0.55) | LRRK2IDO1KMT2AAGTR1KDR |
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 |
|---|---|---|---|---|---|---|---|
| JP-62270559-A | — | — | None | — | — | JP | 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 |
| EP-2240175-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) | 2010-10-20 | — | — | EP | 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-4780477-A | Isatin compositions having anti-ulcer activities | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1988-10-25 | — | — | US | disclosed |
| JP-S62270559-A | ISATIN DERIVATIVE | KISSEI PHARMACEUT CO LTD | 1987-11-24 | — | — | JP | disclosed |
| EP-0205299-A2 | Isatin derivatives, compositions containing the same, and the use thereof for ulcer diseases | Kissei Pharmaceutical Co. Ltd. (JP) | 1986-12-17 | — | — | EP | disclosed |