Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493071 | 1.00 | CYP2C19 (0.47) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL9577376 | 0.87 | CYP2C19 (0.49) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL14445129 | 0.86 | CYP2C19 (0.65) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL8656436 | 0.84 | PKM (0.50) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL28496900 | 0.83 | ALOX15 (0.41) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL28496899 | 0.83 | ALOX15 (0.41) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL28904110 | 0.83 | ALOX15 (0.41) | CYP2C19NPC1MAPTRAB9APAX8 | |
| SCHEMBL898776 | 0.81 | CYP2C19 (0.71) | CYP2C19MAPTNPSR1KDM4EL3MBTL1 | |
| SCHEMBL7270733 | 0.81 | LMNA (0.50) | CYP2C19NPC1MAPTRAB9ANPSR1 | |
| SCHEMBL28606284 | 0.80 | SMN1; SMN2 (0.53) | CYP2C19NPC1MAPTRAB9APAX8 |
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-111978252-A | Chiral benzomorphane derivative and preparation method and pharmaceutical application thereof | 复旦大学 | 2020-11-24 | — | — | CN | disclosed |