Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | SQLE | Q14534 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10610435 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP2D6LMNASLC6A2SIGMAR1 | |
| SCHEMBL9633517 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP2D6LMNASLC6A2SIGMAR1 | |
| SCHEMBL9633240 | 0.81 | CYP2D6 (0.65) | ALDH1A1CYP2D6LMNASLC6A2SIGMAR1 | |
| SCHEMBL9633247 | 0.81 | CYP2D6 (0.65) | ALDH1A1CYP2D6LMNASLC6A2SIGMAR1 | |
| SCHEMBL20208679 | 0.70 | KCNH2 (0.53) | CYP2D6LMNASLC6A2SIGMAR1DRD2 | |
| SCHEMBL8290973 | 0.67 | CYP2A6 (0.60) | ALDH1A1CYP2D6LMNASLC6A2SMN1; SMN2 | |
| SCHEMBL9454380 | 0.67 | BCHE (0.50) | SQLE | |
| SCHEMBL14340050 | 0.67 | CYP2D6 (0.58) | CYP2D6LMNASLC6A2SIGMAR1ADRA2A | |
| SCHEMBL9454028 | 0.67 | BCHE (0.50) | SQLE | |
| SCHEMBL9454023 | 0.67 | BCHE (0.50) | SQLE |
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 |
|---|---|---|---|---|---|---|---|
| US-5132459-A | Fungicides | SANDOZ LTD. (CH) | 1992-07-21 | — | — | US | disclosed |
| US-4755534-A | Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals | SANDOZ LTD. (CH) | 1988-07-05 | — | — | US | disclosed |