Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22037708 | 0.85 | HTR7 (0.42) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL20195553 | 0.85 | ALDH1A1 (0.38) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21317980 | 0.83 | SLC22A12 (0.36) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL20686736 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19SLC22A12 | |
| SCHEMBL18831569 | 0.82 | SLC22A12 (0.37) | CYP1A2CYP2D6CYP2C19SLC22A12PTGER1 | |
| SCHEMBL21317966 | 0.81 | SLC22A12 (0.40) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18831565 | 0.80 | SLC22A12 (0.39) | SLC22A12 | |
| SCHEMBL18831320 | 0.79 | F2 (0.36) | SLC22A12 | |
| SCHEMBL22590904 | 0.79 | LMNA (0.33) | SLC22A12 | |
| SCHEMBL23506149 | 0.78 | SLC22A12 (0.41) | SLC22A12PTGER1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |