Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4408306 | 0.86 | ALDH1A1 (0.64) | ALDH1A1MAPTCA2CA5AMAOA | |
| SCHEMBL28348347 | 0.76 | MAOA (0.35) | ALDH1A1MAPTCA2MAOAMAOB | |
| SCHEMBL5273565 | 0.74 | CA2 (0.54) | ALDH1A1MAPTCA2CA5APOLB | |
| SCHEMBL6245448 | 0.74 | MAPT (0.52) | ALDH1A1MAPTCA2CA5AMAOA | |
| SCHEMBL1525245 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPTCA2CA5AMYC | |
| SCHEMBL19605694 | 0.74 | MAPT (0.58) | ALDH1A1MAPTCA2CA5AMAOA | |
| SCHEMBL17448755 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPTCA2CA5APOLB | |
| SCHEMBL171086 | 0.74 | MAPT (0.58) | ALDH1A1MAPTCA2CA5AMYC | |
| SCHEMBL126505 | 0.74 | CA2 (0.54) | ALDH1A1MAPTCA2CA5AMYC | |
| SCHEMBL10445656 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPTCA2CA5APOLB |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107235875-B | A method of synthesis 1,2,2- trifluoro-ethylene sulfide compound | 福州大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-107235875-A | A kind of method for synthesizing 1,2,2 trifluoro-ethylene sulfide compounds | 福州大学 | 2017-10-10 | — | — | CN | disclosed |
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | disclosed |
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | disclosed |
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | disclosed |
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | 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-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS PATENT COMPANY LLC (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | 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-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | 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-20080076924-A1 | Piperazines as P2X7 antagonists | ABBOTT LABORATORIES | 2008-03-27 | — | — | US | disclosed |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | ABBOTT LABORATORIES | 2008-03-27 | — | — | US | disclosed |
| WO-2008005368-A2 | PIPERAZINES AS P2X7 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2008-01-10 | — | — | WO | disclosed |
| US-6967205-B1 | Compounds with antibacterial and antiparasitic properties | NEW PHARMA RESEARCH SWEDEN AB (SE) | 2005-11-22 | — | — | US | disclosed |
| EP-1230235-A1 | COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES | New Pharma Research Sweden AB (SE) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036408-A1 | COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES | NEW PHARMA RESEARCH SWEDEN AB (SE) | 2001-05-25 | — | — | 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 (4 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-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | GPR119, GLP1R, GCGR | ALDH1A1 2105/4885MAPT 3731/4885CA2 3033/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | ALDH1A1 3462/4885MAPT 3994/4885CA2 3353/4885 |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | P2RX7, P2RX1, P2RX2 | ALDH1A1 852/4885MAPT 4184/4885CA2 1470/4885 |
| US-20100316655-A1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | ABCC1, ABCB1, ABCC2 | ALDH1A1 1607/4885MAPT 4584/4885CA2 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.