Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21755834 | 0.91 | ERN1 (0.32) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL21755852 | 0.80 | EGLN1 (0.33) | — | |
| SCHEMBL21755847 | 0.79 | ERN1 (0.33) | — | |
| SCHEMBL21755806 | 0.78 | SYK (0.34) | — | |
| SCHEMBL21755841 | 0.76 | ERN1 (0.32) | — | |
| SCHEMBL15065402 | 0.74 | PARP1 (0.39) | — | |
| SCHEMBL30077972 | 0.74 | CYP1A2 (0.44) | SGMS2CYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL15068358 | 0.74 | CYP1A2 (0.44) | SGMS2CYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL20908419 | 0.73 | — | — | |
| SCHEMBL21755836 | 0.73 | SYK (0.38) | BACE1 |
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 | disclosed |