Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL469862 | 0.93 | KDR (0.48) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL10085721 | 0.93 | KDR (0.52) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL469845 | 0.93 | AGTR1 (0.57) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL31492055 | 0.93 | LRRK2 (0.52) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL14405668 | 0.91 | CA12 (0.42) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL31492064 | 0.91 | KDR (0.50) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL31492111 | 0.90 | KDR (0.50) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL13008061 | 0.89 | CA12 (0.46) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL31492060 | 0.85 | LRRK2 (0.49) | CA1CA12CA9LRRK2CA2 | |
| SCHEMBL31492003 | 0.83 | MAPT (0.50) | LRRK2AGTR1MAPTKDM4EKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 (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-20080214606-A1 | Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells | ABCC1, MCL1, DLD | CA1 4287/4885CA12 2935/4885CA9 3166/4885 |
“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.