Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9953811 | 0.81 | NOS3 (0.39) | NOS3NOS1NOS2PDK2PDK4 | |
| Methyl Alcohol SCHEMBL10635479 | 0.80 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL23695124 | 0.79 | CCR1 (0.32) | — | |
| SCHEMBL511539 | 0.78 | NOS3 (0.37) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL30295991 | 0.78 | KDM4E (0.37) | ALDH1A1KDM4ELMNA | |
| SCHEMBL16548309 | 0.76 | NOS3 (0.36) | NOS3NOS1NOS2PDK2PDE10A | |
| SCHEMBL13345775 | 0.72 | NOS2 (0.44) | NOS3NOS1NOS2MAPKAPK2BACE1 | |
| SCHEMBL9797818 | 0.70 | NOS2 (0.38) | NOS3NOS1NOS2PDK2PDE10A | |
| SCHEMBL2616803 | 0.69 | NOS2 (0.43) | NOS2PDE10AALDH1A1CYP1A2KDM4E | |
| SCHEMBL11870166 | 0.69 | — | — |
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-3110418-B1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS | ACHILLION PHARMACEUTICALS INC (US) | 2019-11-06 | — | — | EP | disclosed |