Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK2 | O95069 | 1/20 | 0.69 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.69 |
| ▸ | PTPN11 | Q06124 | 8/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | BCL6 | P41182 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902764 | 0.85 | KCNK2 (0.56) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| Sipatrigine SCHEMBL29421474 | 0.81 | SCN2A (1.00) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| Sipatrigine SCHEMBL135888 | 0.81 | SCN2A (1.00) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| SCHEMBL7282208 | 0.80 | KCNK2 (0.71) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| SCHEMBL7272345 | 0.77 | KCNK2 (0.71) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| SCHEMBL8895638 | 0.77 | KCNK2 (0.60) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| SCHEMBL5070764 | 0.77 | KCNK2 (0.74) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| Sipatrigine SCHEMBL5069235 | 0.75 | SCN2A (0.85) | KCNK2SCN2APTPN11HTR3AHRH4 | |
| SCHEMBL8894121 | 0.74 | DHFR (0.47) | KCNK2SCN2A | |
| SCHEMBL12922468 | 0.74 | KCNK2 (0.60) | KCNK2SCN2APTPN11HTR3AHRH4 |
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-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | claimed |