Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9615080 | 0.82 | CA12 (0.59) | CA12CA2CA7CA14CA1 | |
| SCHEMBL2112943 | 0.80 | CA2 (0.65) | CA12CA2CA7CA14CA1 | |
| SCHEMBL24990193 | 0.75 | CA2 (0.59) | CA12CA2CA7CA14CA1 | |
| SCHEMBL813026 | 0.74 | CA2 (0.68) | CA12CA2CA7CA14CA1 | |
| SCHEMBL16477917 | 0.74 | CA12 (0.68) | CA12CA2CA7CA14CA1 | |
| SCHEMBL6534021 | 0.74 | CA12 (0.68) | CA12CA2CA7CA14CA1 | |
| SCHEMBL195152 | 0.72 | CA2 (0.55) | CA12CA2CA7CA14CA1 | |
| SCHEMBL13895320 | 0.72 | CA2 (0.55) | CA12CA2CA7CA14CA1 | |
| SCHEMBL12655103 | 0.72 | SMN1; SMN2 (0.50) | ALDH1A1KDM4ERECQLHTTKMT2A | |
| SCHEMBL10317146 | 0.71 | CA12 (0.53) | CA12CA2CA7CA14CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018011163-A1 | 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |