Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | GBA1 | P04062 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.55 |
| ▸ | HRH2 | P25021 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11620400 | 0.86 | CYP2D6 (0.75) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL24446594 | 0.85 | CYP2D6 (0.74) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL30080216 | 0.85 | CYP2D6 (0.74) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL2342350 | 0.85 | CYP2D6 (0.74) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| Hydrochloric Acid SCHEMBL158567 | 0.84 | CYP3A4 (0.74) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| Hydrochloric Acid SCHEMBL29729337 | 0.84 | CYP3A4 (0.74) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| Hydrochloric Acid SCHEMBL11634324 | 0.77 | SLC2A1 (0.46) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL22927420 | 0.76 | CYP2D6 (0.65) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL24446500 | 0.76 | CYP2D6 (0.65) | CYP2D6CYP1A2SLC6A4KCNH2LMNA | |
| SCHEMBL24446428 | 0.75 | CYP2D6 (0.67) | CYP2D6CYP1A2SLC6A4KCNH2LMNA |
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-115518058-A | Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method | 河北医科大学 | 2022-12-27 | — | — | CN | disclosed |