Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11008130 | 0.84 | NPC1 (0.43) | SIGMAR1HRH3SLC6A3NPC1SMN1; SMN2 | |
| Fluorobenzene SCHEMBL9265693 | 0.83 | RAB9A (0.44) | SIGMAR1SLC6A3TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7094570 | 0.80 | KDM4E (0.51) | SIGMAR1TSHRSLC6A3KDM4EKMT2A | |
| SCHEMBL10764406 | 0.80 | SIGMAR1 (0.58) | SIGMAR1HRH3NPC1SMN1; SMN2HTT | |
| SCHEMBL10397957 | 0.80 | CYP1A2 (0.48) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11828025 | 0.80 | SIGMAR1 (0.50) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6332121 | 0.80 | CYP1A2 (0.50) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6064058 | 0.79 | CYP1A2 (0.61) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8512322 | 0.79 | SIGMAR1 (0.49) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6570349 | 0.78 | MC4R (0.49) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1061035-C | Phenylalkanolamine derivatives | HOFFMANN LA ROCHE (CH) | 2001-01-24 | — | — | CN | disclosed |