Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 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 | 0.91 | CA1 (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL469856 | 0.87 | ALDH1A1 (0.51) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL457611 | 0.86 | ALDH1A1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13061631 | 0.85 | CA1 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31492111 | 0.84 | KDR (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13061642 | 0.84 | KDR (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL469808 | 0.84 | KDR (0.66) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10085224 | 0.83 | CA1 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13008061 | 0.83 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31491998 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDHTTSMN1; SMN2 |
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 3 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 |
| 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 | CA12 4794/4885CA1 4780/4885CA2 4555/4885 |
“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.