Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | EBP | Q15125 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28616636 | 1.00 | NR1I2 (0.54) | NR1I2DRD2ADRA2CCNR1SLC6A2 | |
| SCHEMBL28622161 | 0.79 | SIGMAR1 (0.59) | CNR1SLC6A2SIGMAR1MEN1LMNA | |
| SCHEMBL28623691 | 0.78 | PAM (0.49) | NR1I2DRD2ADRA2CCNR1SLC6A2 | |
| SCHEMBL28623693 | 0.78 | PAM (0.49) | NR1I2DRD2ADRA2CCNR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL30855369 | 0.78 | SIGMAR1 (0.58) | CNR1SLC6A2SIGMAR1LMNACYP2D6 | |
| SCHEMBL3792155 | 0.77 | NR4A1 (0.53) | SIGMAR1MEN1LMNACYP1A2CYP2D6 | |
| SCHEMBL31060098 | 0.77 | NR4A1 (0.53) | SIGMAR1MEN1LMNACYP1A2CYP2D6 | |
| SCHEMBL18652132 | 0.76 | NR4A1 (0.52) | CNR1OPRK1SIGMAR1MEN1LMNA | |
| SCHEMBL11883048 | 0.76 | PAM (0.53) | NR1I2DRD2ADRA2CCNR1SLC6A2 | |
| SCHEMBL11883033 | 0.76 | PAM (0.53) | NR1I2DRD2ADRA2CCNR1SLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113277963-A | Amine compound and preparation method and application thereof | 南京工业大学 | 2021-08-20 | — | — | CN | claimed |
| CN-113277963-B | Amine compound and preparation method and application thereof | 南京工业大学 | 2022-11-04 | — | — | CN | disclosed |
| CN-113277963-A | Amine compound and preparation method and application thereof | 南京工业大学 | 2021-08-20 | — | — | CN | disclosed |