Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15065486 | 0.83 | KDM4E (0.48) | CYP11B1CYP11B2MRGPRX4LRRK2CYP1A2 | |
| SCHEMBL31371510 | 0.80 | KMT2A (0.54) | MTNR1AMTNR1BCYP1A2CYP3A4MAPT | |
| SCHEMBL20094653 | 0.78 | ATM (0.59) | CYP11B1CYP11B2CYP2C9CYP2C19ATM | |
| SCHEMBL12751782 | 0.75 | L3MBTL1 (0.54) | MRGPRX4MAPTPTGER1ATM | |
| SCHEMBL15065166 | 0.73 | MRGPRX4 (0.50) | CYP11B1CYP11B2MRGPRX4LRRK2SMN1; SMN2 | |
| SCHEMBL23434961 | 0.72 | MAPT (0.54) | MTNR1AMTNR1BCYP1A2CYP3A4MAPT | |
| SCHEMBL2014936 | 0.72 | GYS1 (0.56) | CYP11B1CYP11B2 | |
| SCHEMBL21393493 | 0.71 | MTNR1A (0.47) | MTNR1AMTNR1BCYP1A2CYP3A4MAPT | |
| SCHEMBL693288 | 0.71 | RAB9A (0.60) | CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL31371257 | 0.71 | RAB9A (0.63) | MTNR1AMTNR1BMRGPRX4MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182938-A1 | AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |