Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18404967 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL5621275 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP1A2GRM5NPC1RAB9A | |
| SCHEMBL13205356 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP1A2NPC1MAPTTP53 | |
| SCHEMBL262307 | 0.82 | GRM5 (0.54) | ALDH1A1GRM5SMN1; SMN2KDM4ENPSR1 | |
| SCHEMBL26281338 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL1761130 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2NPC1MAPTTP53 | |
| SCHEMBL18502143 | 0.81 | GRM5 (0.49) | ALDH1A1GRM5NPC1RAB9AMAPT | |
| SCHEMBL26865393 | 0.81 | MAPT (0.53) | ALDH1A1GRM5NPC1RAB9AMAPT | |
| SCHEMBL24550855 | 0.80 | KDM4E (0.53) | ALDH1A1CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL29722018 | 0.80 | KDM4E (0.53) | ALDH1A1CYP1A2NPC1RAB9AMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| EP-1858862-B1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2016-04-20 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20110183979-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | US | disclosed |
| WO-2011089132-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | WO | disclosed |
| US-7947685-B2 | Pyrazine-2-carboxyamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | disclosed |
| US-20090233944-A1 | PYRAZINE-2-CARBOXYAMIDE DERIVATIVES | JAESCHKE GEORG | 2009-09-17 | — | — | US | disclosed |
| EP-1858862-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094691-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |
| US-20060199828-A1 | Pyrazine-2-carboxyamide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-07 | — | — | US | 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-20090233944-A1 | PYRAZINE-2-CARBOXYAMIDE DERIVATIVES | CNR2, CNR1, CHRNA2 | ALDH1A1 897/4885CYP1A2 114/4885GRM5 99/4885 |
| US-20110183979-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | PDE3A, PDE2A, PDE10A | ALDH1A1 434/4885CYP1A2 92/4885GRM5 2562/4885 |
| US-20060199828-A1 | Pyrazine-2-carboxyamide derivatives | CNR2, CNR1, CHRNA2 | ALDH1A1 897/4885CYP1A2 114/4885GRM5 99/4885 |
“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.