Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.34 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.34 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16660742 | 0.97 | OXTR (0.40) | OXTRPKMTRPV4CYP3A4CYP2C9 | |
| SCHEMBL16660729 | 0.91 | OXTR (0.39) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16973269 | 0.88 | TRPV4 (0.38) | OXTRTRPV4CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL16660740 | 0.87 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660732 | 0.87 | OXTR (0.38) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660728 | 0.86 | KMT2A (0.38) | PKMTRPV4KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL16654825 | 0.85 | OXTR (0.35) | OXTRTRPV4CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL16660723 | 0.84 | KMT2A (0.38) | PKMTRPV4KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL16660743 | 0.84 | OXTR (0.39) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16654466 | 0.84 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 |
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-2015055497-A1 | SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS | BASF SE (DE) | 2015-04-23 | — | — | WO | disclosed |