Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3294235 | 1.00 | CNR2 (0.39) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL13294650 | 0.87 | CNR2 (0.38) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL1445386 | 0.87 | PYGL (0.46) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL2645077 | 0.87 | PYGL (0.46) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL13294675 | 0.87 | CNR2 (0.38) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL1445415 | 0.82 | GRIN2B (0.36) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL1445417 | 0.82 | GRIN2B (0.36) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL3512294 | 0.82 | L3MBTL1 (0.39) | CNR2PYGLKDRGRIN2BABL1 | |
| SCHEMBL3294026 | 0.81 | GRIN2B (0.36) | CNR2PYGLKDRGRIN2BKCNH2 | |
| SCHEMBL1445407 | 0.79 | RAB9A (0.35) | CNR2PYGLKDRGRIN2BKCNH2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7727750-B2 | Biocatalytic asymmetric reduction in preparation of (S)-N-[5-(1,2-dihydroxy-ethyl)-pyrazinyl]-2,2-dimethyl-propionamide | HOFFMAN-LA ROCHE INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7727750-B2 | Biocatalytic asymmetric reduction in preparation of (S)-N-[5-(1,2-dihydroxy-ethyl)-pyrazinyl]-2,2-dimethyl-propionamide | HOFFMAN-LA ROCHE INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7727750-B2 | Biocatalytic asymmetric reduction in preparation of (S)-N-[5-(1,2-dihydroxy-ethyl)-pyrazinyl]-2,2-dimethyl-propionamide | HOFFMAN-LA ROCHE INC. (US) | 2010-06-01 | — | — | US | disclosed |
| EP-2145012-A2 | MICROBIAL REDUCTION OF AN ACETOXYKETONE | F. Hoffmann-Roche AG (CH) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008122511-A2 | PROCESS FOR PREPARING 2-AMINO- [5-(1(S), 2-DIHYDROXYETHYL) OR - (KS) -HYDROXY-2-HALOETHYL) ] -PYRAZINE DERIVATIVES BY ENZYMATIC REDUCTION OF THE CORRESPONDING KETONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008122511-A2 | PROCESS FOR PREPARING 2-AMINO- [5-(1(S), 2-DIHYDROXYETHYL) OR - (KS) -HYDROXY-2-HALOETHYL) ] -PYRAZINE DERIVATIVES BY ENZYMATIC REDUCTION OF THE CORRESPONDING KETONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-16 | — | — | WO | disclosed |
| US-20080248537-A1 | BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | US | disclosed |
| US-20080248537-A1 | BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | US | disclosed |
| US-20080248537-A1 | BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | 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 (1 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-20080248537-A1 | BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE | GCK, HK2, GCKR | CNR2 1743/4885PYGL 411/4885KDR 1618/4885 |
“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.