Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | EBP | Q15125 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28712086 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL4020831 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL4020838 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL726832 | 0.83 | NLN (0.44) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL2278699 | 0.83 | NLN (0.44) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL4079687 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL23972323 | 0.76 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP2C19ATMTDP1 | |
| SCHEMBL5647636 | 0.76 | PDK1 (0.57) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL6077209 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C19NR1I2DRD2 | |
| SCHEMBL12693652 | 0.75 | NPC1 (0.72) | CYP1A2CYP2D6LMNAKMT2AL3MBTL1 |
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-114181090-B | Preparation method for synthesizing amine compound by co-catalyzing hydrosilation of amide through iridium and boron reagent | 厦门大学 | 2023-04-28 | — | — | CN | disclosed |
| CN-114181090-A | Preparation method for synthesizing amine compound by amide through iridium and boron reagent co-catalysis hydrosilation | 厦门大学 | 2022-03-15 | — | — | CN | disclosed |