Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8322259 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8323191 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8318646 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8324009 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8324039 | 0.72 | MAPK1 (0.52) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8318303 | 0.71 | TUBB4A (0.39) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8318842 | 0.69 | CYP3A4 (0.35) | CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL8324480 | 0.69 | NR4A2 (0.41) | CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL8318534 | 0.69 | KDM4E (0.46) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL8321417 | 0.68 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5866594-A | Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1999-02-02 | — | — | US | disclosed |