Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL3066845 | 0.96 | CYP1A2 (0.69) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL1029928 | 0.90 | CYP1A2 (0.66) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL29684634 | 0.90 | CYP1A2 (0.66) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL10387995 | 0.89 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL23493031 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL10804708 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL23493019 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL3358175 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL865680 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL867259 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 |
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-2970334-B1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |