Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8143739 | 0.80 | ALDH1A1 (0.59) | ALDH1A1HPGDHRH3LMNATAAR1 | |
| SCHEMBL11497625 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HPGDLMNASLC47A1FDPS | |
| SCHEMBL13074381 | 0.77 | ALDH1A1 (0.70) | ALDH1A1HPGDLMNASLC47A1ADRA1D | |
| SCHEMBL19966276 | 0.76 | ALDH1A1 (0.76) | ALDH1A1HPGDSLC47A1ADRA1DADRA1A | |
| SCHEMBL24655822 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HPGDHRH3CHRNB2CHRNA4 | |
| SCHEMBL8353258 | 0.76 | ALDH1A1 (0.67) | ALDH1A1HPGDSLC47A1ADRA1DADRA1A | |
| SCHEMBL14546939 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TAAR1 | |
| SCHEMBL12932867 | 0.76 | ALDH1A1 (0.67) | ALDH1A1HPGDLMNASLC47A1ADRA1D | |
| SCHEMBL4687077 | 0.76 | NPC1 (0.46) | ALDH1A1TAAR1HTT | |
| SCHEMBL6865308 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGDHRH3 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013079460-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-06 | — | — | WO | disclosed |
| US-7868204-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2011-01-11 | — | — | US | disclosed |
| US-7838520-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2010-11-23 | — | — | US | disclosed |
| US-7709473-B2 | Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors | PFIZER INC. (US) | 2010-05-04 | — | — | US | disclosed |
| US-20080027037-A1 | Cyclic compounds | TANABE SEIYAKU CO., LTD. | 2008-01-31 | — | — | US | disclosed |
| US-20080027037-A1 | Cyclic compounds | TANABE SEIYAKU CO., LTD. | 2008-01-31 | — | — | US | disclosed |
| US-20070249612-A1 | Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors | BENBOW JOHN W | 2007-10-25 | — | — | US | disclosed |
| US-7273868-B2 | Pyrazine derivatives | TANABE SEIYAKU CO., LTD. (JP) | 2007-09-25 | — | — | US | disclosed |
| US-7273868-B2 | Pyrazine derivatives | TANABE SEIYAKU CO., LTD. (JP) | 2007-09-25 | — | — | US | disclosed |
| EP-1678180-B1 | SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2007-08-08 | — | — | EP | disclosed |
| US-7220736-B2 | Pyrimidine compounds | TANABE SEIYAKU CO., LTD. (JP) | 2007-05-22 | — | — | US | disclosed |
| US-7220736-B2 | Pyrimidine compounds | TANABE SEIYAKU CO., LTD. (JP) | 2007-05-22 | — | — | US | disclosed |
| US-7202245-B2 | Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines | PFIZER INC. (US) | 2007-04-10 | — | — | US | disclosed |
| EP-1678180-A1 | SUBSTITUTED 2H- 1,2,4 TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS | Pfizer Products Incorporated (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005035532-A1 | SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-04-21 | — | — | WO | disclosed |
| US-20040192698-A1 | Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines | PFIZER INC. | 2004-09-30 | — | — | US | disclosed |
| EP-1277741-A1 | CYCLIC COMPOUNDS | TANABE SEIYAKU CO., LTD. (JP) | 2003-01-22 | — | — | EP | 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 (3 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-20070249612-A1 | Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors | GSK3B, GSK3A, GSKIP | ALDH1A1 1164/4885HPGD 1930/4885HRH3 564/4885 |
| US-20040192698-A1 | Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines | CYP4B1, CYP3A4, CYP1B1 | ALDH1A1 121/4885HPGD 1214/4885HRH3 450/4885 |
| US-20080027037-A1 | Cyclic compounds | PDE4A, PDE4B, PDE3B | ALDH1A1 1483/4885HPGD 674/4885HRH3 1175/4885 |
“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.