Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11378979 | 0.96 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11379116 | 0.93 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11368229 | 0.93 | AHR (0.35) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11375228 | 0.92 | MLYCD (0.35) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11371529 | 0.92 | KDM4E (0.33) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11366088 | 0.91 | AHR (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11368605 | 0.90 | KDM4E (0.33) | CYP1A2CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL11372627 | 0.90 | THRB (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11377364 | 0.90 | KDM4E (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9PKM | |
| SCHEMBL11372103 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9PKM |
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-4251262-A | 1-Carbamoyl-1,2,4-triazole herbicidal agents | THE BOOTS COMPANY LIMITED (GB) | 1981-02-17 | — | — | US | disclosed |