Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15065161 | 0.92 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL30078214 | 0.92 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL21748431 | 0.88 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL20579786 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL15065945 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL30077974 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL15068426 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL15068378 | 0.78 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL15065716 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL21748430 | 0.75 | CYP1A2 (0.40) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2797597-B1 | SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION | GLOBAL BLOOD THERAPEUTICS INC (US) | 2020-02-26 | — | — | EP | claimed |