Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BDKRB2 | P30411 | 12/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18995864 | 0.92 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL30078076 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL15068370 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16047983 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL15065951 | 0.85 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16073005 | 0.82 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16072977 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL18995849 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16068566 | 0.79 | BDKRB2 (0.32) | BDKRB2NR3C2 | |
| SCHEMBL18995862 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9012450-B2 | Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |