Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4068624 | 0.93 | BRAF (0.51) | DHFRBRAFAGTR1AGTR2NPSR1 | |
| SCHEMBL5841525 | 0.85 | DPP4 (0.45) | DHFRBRAFAGTR1AGTR2NPSR1 | |
| SCHEMBL8353570 | 0.80 | CYP2C19 (0.53) | AGTR1AGTR2TDP1KDM4EALDH1A1 | |
| SCHEMBL4066687 | 0.74 | CYP2C19 (0.59) | AGTR1AGTR2TDP1KDM4EALDH1A1 | |
| SCHEMBL5025892 | 0.72 | LMNA (0.66) | DHFRALDH1A1POLB | |
| SCHEMBL19906460 | 0.72 | ALDH1A1 (0.45) | BRAFNPSR1KDM4EALDH1A1GLA | |
| SCHEMBL8351294 | 0.71 | DPP4 (0.62) | — | |
| SCHEMBL4069252 | 0.70 | POLB (0.44) | TDP1KDM4EALDH1A1GLAGAA | |
| SCHEMBL15206489 | 0.70 | EGLN1 (0.53) | — | |
| SCHEMBL4068476 | 0.70 | HTR3A (0.62) | KDM4EALDH1A1 |
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 |