Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | NEK2 | P51955 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL297930 | 0.85 | CYP2C9 (0.67) | CYP2C9CYP3A4MAP2K1KDRBRAF | |
| SCHEMBL28293606 | 0.84 | BRAF (0.63) | CYP2C9CYP3A4MAP2K1KDRBRAF | |
| SCHEMBL30374918 | 0.84 | CYP2C9 (0.56) | CYP2C9CYP3A4MAP2K1KDRBRAF | |
| SCHEMBL29652320 | 0.84 | CYP2C9 (0.47) | CYP2C9CYP3A4MAP2K1KDRBRAF | |
| SCHEMBL15549990 | 0.83 | MAP2K1 (0.48) | CYP2C9CYP3A4MAP2K1KDRBRAF | |
| SCHEMBL3509981 | 0.80 | MAP2K1 (0.52) | CYP2C9MAP2K1KDRBRAFNEK2 | |
| SCHEMBL3509976 | 0.80 | MAP2K1 (0.52) | CYP2C9MAP2K1KDRBRAFNEK2 | |
| SCHEMBL27708260 | 0.78 | MAP2K1 (0.71) | MAP2K1KDRBRAFNEK2CNR2 | |
| SCHEMBL288197 | 0.77 | CYP2C9 (0.61) | CYP2C9CYP3A4BRAF | |
| SCHEMBL857351 | 0.76 | MAP2K1 (0.57) | CYP2C9MAP2K1KDRBRAFNEK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109608450-A | The synthesis of pyrrolo- [2,3-B] pyridine | 普莱希科公司 | 2019-04-12 | — | — | CN | disclosed |