Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.62 |
| ▸ | HTR2A | P28223 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL9446263 | 0.86 | CYP1A2 (0.60) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| Hydrochloric Acid SCHEMBL28414863 | 0.82 | CYP2D6 (0.66) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| SCHEMBL9446227 | 0.79 | L3MBTL1 (0.51) | CYP2D6SLC6A2SIGMAR1NR1I2HTR2A | |
| Butenafine SCHEMBL20456391 | 0.77 | CYP2D6 (1.00) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| Butenafine SCHEMBL65526 | 0.77 | CYP2D6 (1.00) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| Butenafine SCHEMBL29354083 | 0.77 | CYP2D6 (1.00) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| SCHEMBL9446248 | 0.76 | CYP1A2 (0.53) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| SCHEMBL18784910 | 0.76 | KMT2A (0.46) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| Butenafine SCHEMBL676912 | 0.75 | LMNA (0.97) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 | |
| Butenafine SCHEMBL262301 | 0.75 | LMNA (0.97) | CYP2D6LMNASLC6A2SIGMAR1NR1I2 |
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-5196606-A | Aromatic tertiary amines, enamines, deoxybenzoins and benzils | HAY ALLAN S (CA) | 1993-03-23 | — | — | US | disclosed |
| US-5117062-A | Aromatic tertiary amines, enamines, deoxybenzoins and benzils | HAY ALLAN S (CA) | 1992-05-26 | — | — | US | disclosed |