Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8321986 | 0.90 | SLC6A2 (0.48) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL30119619 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL7037475 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| Hydrochloric Acid SCHEMBL7217846 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL11586023 | 0.82 | CYP2D6 (0.53) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL31675157 | 0.82 | CYP2D6 (0.53) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL4814074 | 0.80 | CYP2D6 (0.52) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL7907369 | 0.78 | CYP2C19 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL808870 | 0.78 | TDP1 (0.53) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 | |
| SCHEMBL17488720 | 0.78 | CYP2D6 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9NR1I2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011116530-A1 | STRECKER REAGENTS, THEIR DERIVATIVES, METHODS FOR FORMING THE SAME AND IMPROVED STRECKER REACTION | NOWA PHARMACEUTICALS CO., LTD (CN) | 2011-09-29 | — | — | WO | disclosed |