Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14483860 | 0.97 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL206 | 0.88 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL27685571 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5209412 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27426987 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27941071 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27597743 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7136112 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5209418 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL27626378 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110713448-B | Preparation method of carbon dioxide-participated dithioacetal | 清华大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-110713448-A | Preparation method of carbon dioxide-participated dithioacetal | 清华大学 | 2020-01-21 | — | — | CN | disclosed |
| EP-2116302-B1 | Catalyst complex with a heterocyclic carbene ligand | UNIV OF NEW ORLEANS FOUND (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-0884311-A2 | Triazole Derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1998-12-16 | — | — | EP | disclosed |