Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6479303 | 0.84 | KDM4E (0.59) | ALDH1A1L3MBTL1KCNH2CYP3A4KDM4E | |
| SCHEMBL1258312 | 0.83 | KCNH2 (0.47) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL1655812 | 0.81 | KCNH2 (0.49) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL30604783 | 0.81 | KCNH2 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL30604781 | 0.81 | KCNH2 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL7689636 | 0.81 | KCNH2 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL2790491 | 0.81 | KCNH2 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL31690946 | 0.81 | BACE1 (0.50) | ALDH1A1L3MBTL1CYP3A4KDM4ELMNA | |
| SCHEMBL2608426 | 0.81 | CYP2D6 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 | |
| SCHEMBL1147111 | 0.81 | KCNH2 (0.46) | ALDH1A1L3MBTL1KCNH2ADORA2AADORA1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9926326-B2 | Substituted thioxanthenone autophagy inhibitors | THE CLEVELAND CLINIC FOUNDATION (US) | 2018-03-27 | — | — | US | disclosed |
| US-20170210746-A1 | SUBSTITUTED THIOXANTHENONE AUTOPHAGY INHIBITORS | THE CLEVELAND CLINIC FOUNDATION | 2017-07-27 | — | — | US | disclosed |
| US-9610317-B2 | 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| US-20160082069-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. | 2016-03-24 | — | — | US | disclosed |
| US-9233136-B2 | 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2016-01-12 | — | — | US | disclosed |
| US-9133115-B2 | 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-09-15 | — | — | US | disclosed |
| US-20140328796-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. | 2014-11-06 | — | — | US | disclosed |
| US-8785378-B2 | Macrocyclic peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2014-07-22 | — | — | US | disclosed |
| US-20140113890-A1 | NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2014-04-24 | — | — | US | disclosed |
| US-8445430-B2 | Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus | ACHILLION PHARMACEUTICALS, INC. (US) | 2013-05-21 | — | — | US | disclosed |
| US-20130116169-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |
| WO-2010144102-A1 | PENTAFLUOROSULFANYL ANALOGS OF MEFLOQUINE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010144434-A1 | DERIVATIVES OF MEFLOQUINE AND ASSOCIATED METHODS FOR MAKING AND USING | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2004009121-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-01-29 | — | — | 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 (5 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-20130116169-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | ALDH1A1 2015/4885L3MBTL1 1764/4885KCNH2 4716/4885 |
| US-20160082069-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ZC3HAV1, VIP, ZC3HAV1L | ALDH1A1 3885/4885L3MBTL1 2124/4885KCNH2 3213/4885 |
| US-20140113890-A1 | NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ZC3HAV1, VIP, ZC3HAV1L | ALDH1A1 4204/4885L3MBTL1 785/4885KCNH2 2000/4885 |
| US-20140328796-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | VIP, ZC3HAV1, CCL5 | ALDH1A1 4010/4885L3MBTL1 847/4885KCNH2 2243/4885 |
| US-20170210746-A1 | SUBSTITUTED THIOXANTHENONE AUTOPHAGY INHIBITORS | BECN1, ATG7, SQSTM1 | ALDH1A1 3286/4885L3MBTL1 606/4885KCNH2 3221/4885 |
“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.