Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ACP1 | P24666 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | EIF4E | P06730 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16535479 | 0.84 | SCN1A (0.39) | KDM4ESMN1; SMN2ACP1EIF4EALDH1A1 | |
| SCHEMBL20197318 | 0.80 | EIF4E (0.46) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197309 | 0.76 | CYP1B1 (0.41) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197302 | 0.74 | SMN1; SMN2 (0.46) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197228 | 0.74 | CYP1A1 (0.42) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197340 | 0.74 | EIF4E (0.53) | KDM4ESMN1; SMN2EIF4ESCN9AALDH1A1 | |
| SCHEMBL20197472 | 0.72 | CYP1B1 (0.36) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197240 | 0.71 | ALDH1A1 (0.53) | CYP1B1CYP1A2KDM4ESMN1; SMN2CYP1A1 | |
| SCHEMBL20197278 | 0.71 | CNR2 (0.39) | KDM4ESMN1; SMN2 | |
| SCHEMBL20197292 | 0.71 | SMN1; SMN2 (0.33) | CYP1B1CYP1A2SMN1; SMN2CYP1A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |