Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066687 | 0.93 | CYP2C19 (0.59) | CYP2C19CYP1A2AGTR1AGTR2MAPK14 | |
| SCHEMBL5842608 | 0.85 | CYP1A2 (0.48) | CYP2C19CYP1A2AGTR1AGTR2MAPK14 | |
| SCHEMBL8353558 | 0.80 | DHFR (0.45) | AGTR1AGTR2TDP1ADORA3ADORA2A | |
| SCHEMBL4068624 | 0.74 | BRAF (0.51) | AGTR1AGTR2LMNAKDM4EALDH1A1 | |
| SCHEMBL8351294 | 0.71 | DPP4 (0.62) | — | |
| SCHEMBL4068476 | 0.69 | HTR3A (0.62) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5841525 | 0.68 | DPP4 (0.45) | AGTR1AGTR2 | |
| SCHEMBL13911778 | 0.68 | AGTR1 (0.46) | AGTR1AGTR2LMNATLR7ALDH1A1 | |
| SCHEMBL8349789 | 0.67 | DPP4 (0.56) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8352617 | 0.66 | HTR3A (0.58) | — |
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-2004050658-A1 | NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-06-17 | — | — | WO | disclosed |