Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24528684 | 1.00 | PTGS1 (0.37) | PTGS1HSD17B10CYP2A6ALDH1A1KDM4E | |
| SCHEMBL24528629 | 0.83 | ADORA2A (0.45) | PTGS1CYP2A6ALDH1A1DHODHCHEK1 | |
| SCHEMBL29681221 | 0.83 | ADORA2A (0.45) | PTGS1CYP2A6ALDH1A1DHODHCHEK1 | |
| SCHEMBL16613467 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EDHODHCYP2D6CYP2C19 | |
| SCHEMBL16613449 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EDHODHCYP2D6CYP2C19 | |
| SCHEMBL29681048 | 0.78 | ADORA2A (0.52) | PTGS1HSD17B10CYP2A6ALDH1A1KDM4E | |
| SCHEMBL24528608 | 0.78 | ADORA2A (0.52) | PTGS1HSD17B10CYP2A6ALDH1A1KDM4E | |
| SCHEMBL24528672 | 0.72 | IKBKB (0.45) | HSD17B10CYP2A6ALDH1A1KDM4EJAK2 | |
| SCHEMBL17464083 | 0.72 | DHODH (0.44) | ALDH1A1KDM4EDHODHMAPK14CYP2D6 | |
| SCHEMBL29681139 | 0.72 | IKBKB (0.45) | HSD17B10CYP2A6ALDH1A1KDM4EJAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4263539-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) | 2023-10-25 | — | — | EP | disclosed |
| 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 |