Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588058 | 0.86 | AKR1C3 (0.57) | KDM4EAKR1C3ALDH1A1HTTCYP2C9 | |
| SCHEMBL14040079 | 0.86 | AKR1C3 (0.57) | KDM4EAKR1C3ALDH1A1HTTCYP2C9 | |
| Acetone SCHEMBL11802482 | 0.83 | ALDH1A1 (0.48) | KDM4EAKR1C3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16318068 | 0.82 | MAPT (0.43) | KDM4EAKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL8712168 | 0.79 | ALDH1A1 (0.44) | KDM4EAKR1C3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17122439 | 0.78 | ALDH1A1 (0.50) | KDM4EAKR1C3ALDH1A1HTTCYP1A2 | |
| SCHEMBL15271480 | 0.78 | MAPT (0.55) | KDM4EAKR1C3MAPTLMNATRPA1 | |
| SCHEMBL15271482 | 0.78 | MAPT (0.55) | KDM4EAKR1C3MAPTLMNATRPA1 | |
| SCHEMBL13287298 | 0.78 | ALDH1A1 (0.50) | KDM4EAKR1C3ALDH1A1HTTCYP1A2 | |
| SCHEMBL2439822 | 0.78 | ALDH1A1 (0.50) | KDM4EAKR1C3ALDH1A1HTTCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3786152-A1 | METHOD FOR MANUFACTURING AROMATIC NITRILE COMPOUND | API Corporation (JP) | 2021-03-03 | — | — | EP | disclosed |
| EP-1389110-B1 | INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME | AVANIR PHARMACEUTICALS (US) | 2010-03-24 | — | — | EP | disclosed |