Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.70 |
| ▸ | MAPT | P10636 | 7/20 | 0.60 |
| ▸ | LMNA | P02545 | 6/20 | 0.60 |
| ▸ | HTT | P42858 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6301912 | 0.89 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL14633632 | 0.89 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL1314972 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL6297678 | 0.84 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL5078630 | 0.82 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL4050791 | 0.82 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL147358 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL30337583 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL16786362 | 0.81 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL30542212 | 0.81 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTLMNAHTT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1671717-A | Azole derivatives as antifungal agents | RANBAXY LAB LTD (IN) | 2005-09-21 | — | — | CN | claimed |
| 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 |
| 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-20070093483-A1 | Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) | ASTRAZENECA AB (SE) | 2007-04-26 | — | — | US | disclosed |
| CN-1780822-A | Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) | ASTRAZENECA AB (SE) | 2006-05-31 | — | — | CN | disclosed |
| EP-1620410-A1 | USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) | AstraZeneca AB (SE) | 2006-02-01 | — | — | EP | disclosed |
| CN-1671717-A | Azole derivatives as antifungal agents | RANBAXY LAB LTD (IN) | 2005-09-21 | — | — | CN | disclosed |
| WO-2004096781-A1 | USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) | ASTRAZENECA AB (SE) | 2004-11-11 | — | — | 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 (2 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 | ALDH1A1 1607/4885SMN1; SMN2 3734/4885MAPT 4584/4885 |
| US-20070093483-A1 | Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) | MPO, XDH, EPX | ALDH1A1 151/4885SMN1; SMN2 1917/4885MAPT 2326/4885 |
“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.