Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | PHGDH | O43175 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28142005 | 0.86 | SIGMAR1 (0.66) | SIGMAR1PHGDHMGLLHRH3TSHR | |
| Carbamic Acid SCHEMBL6249677 | 0.85 | TSHR (0.63) | SIGMAR1HRH3TSHRALDH1A1CYP2D6 | |
| SCHEMBL28021237 | 0.85 | SIGMAR1 (0.64) | SIGMAR1PHGDHMGLLHRH3TSHR | |
| SCHEMBL10436631 | 0.85 | SIGMAR1 (0.74) | SIGMAR1PHGDHMGLLHRH3TSHR | |
| SCHEMBL1777747 | 0.84 | SIGMAR1 (0.81) | SIGMAR1HRH3ALDH1A1PRMT6CYP2D6 | |
| SCHEMBL13952 | 0.84 | SIGMAR1 (0.81) | SIGMAR1HRH3ALDH1A1PRMT6CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL3699405 | 0.82 | SIGMAR1 (0.77) | SIGMAR1HRH3ALDH1A1PRMT6CYP2D6 | |
| SCHEMBL688047 | 0.82 | SIGMAR1 (0.77) | SIGMAR1HRH3ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL11141692 | 0.82 | SIGMAR1 (0.77) | SIGMAR1HRH3ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL11585348 | 0.82 | SIGMAR1 (0.77) | SIGMAR1HRH3ALDH1A1CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | disclosed |