Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL844507 | 1.00 | NPSR1 (0.45) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL279628 | 0.94 | CYP1A2 (0.42) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL22764497 | 0.94 | CHKA (0.44) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL12048724 | 0.94 | NR3C2 (0.42) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL5441435 | 0.93 | HTT (0.49) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL14506081 | 0.92 | ESR1 (0.46) | NPSR1HTTL3MBTL1SIGMAR1ITK | |
| SCHEMBL12047804 | 0.92 | L3MBTL1 (0.41) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL279071 | 0.90 | ALDH1A1 (0.42) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL13826719 | 0.90 | ESR1 (0.42) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 | |
| SCHEMBL12048712 | 0.90 | ESR1 (0.42) | NPSR1HTTL3MBTL1CYP2A6SIGMAR1 |
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 |