Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29059448 | 0.80 | GGT1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL29059366 | 0.79 | SIGMAR1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL6891188 | 0.79 | NPC1 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL24298218 | 0.73 | MME (0.34) | SIGMAR1ALDH1A1POLBALOX12 | |
| SCHEMBL24298124 | 0.73 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2AHPGDLMNA | |
| SCHEMBL27779884 | 0.71 | SIGMAR1 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3320021 | 0.68 | SIGMAR1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6890586 | 0.68 | SIGMAR1 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6890587 | 0.68 | SIGMAR1 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL7696244 | 0.68 | SIGMAR1 (0.51) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116783204-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |