Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 11/20 | 0.37 |
| ▸ | IKBKB | O14920 | 3/20 | 0.37 |
| ▸ | CHUK | O15111 | 3/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL29680885 | 1.00 | CYP2A6 (0.39) | CYP2A6CDK8CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL4171887 | 0.83 | TGFBR1 (0.51) | CDK8CYP3A4CYP2C8TGFBR1JAK1 | |
| SCHEMBL858844 | 0.77 | IKBKB (0.64) | CDK8IKBKBCHUKDAPK3JAK2 | |
| SCHEMBL4153879 | 0.75 | TGFBR1 (0.47) | CYP2A6CDK8CYP3A4CYP2C8TGFBR1 | |
| SCHEMBL29953681 | 0.73 | CDK8 (0.50) | CDK8JAK1IKBKBCHUKDAPK3 | |
| SCHEMBL29956462 | 0.73 | MAPK1 (0.42) | CDK8IKBKBCHUKDAPK3JAK2 | |
| SCHEMBL4157147 | 0.72 | TGFBR1 (0.50) | CYP2A6CDK8CYP3A4CYP2C8TGFBR1 | |
| SCHEMBL29681139 | 0.72 | IKBKB (0.45) | CYP2A6CDK8JAK1IKBKBCHUK | |
| SCHEMBL24528672 | 0.72 | IKBKB (0.45) | CYP2A6CDK8JAK1IKBKBCHUK | |
| SCHEMBL24528665 | 0.71 | NEK1 (0.36) | JAK1IKBKBCHUKALDH1A1 |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |