Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.46 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | ULK1 | O75385 | 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 | |
|---|---|---|---|---|
| SCHEMBL4610114 | 0.89 | CYP2D6 (0.48) | ALDH1A1CYP3A4CYP2D6LMNAHPGD | |
| SCHEMBL4610111 | 0.89 | CYP2D6 (0.48) | ALDH1A1CYP3A4CYP2D6LMNAHPGD | |
| SCHEMBL4629661 | 0.79 | ATM (0.59) | ALDH1A1GAACNR2SLC6A9SLC6A5 | |
| SCHEMBL4883212 | 0.79 | EEF2K (0.51) | ALDH1A1GAACNR2SLC6A9SLC6A5 | |
| SCHEMBL4882633 | 0.79 | EEF2K (0.51) | ALDH1A1GAACNR2SLC6A9SLC6A5 | |
| SCHEMBL4882610 | 0.79 | EEF2K (0.51) | ALDH1A1GAACNR2SLC6A9SLC6A5 | |
| SCHEMBL2485183 | 0.77 | MEN1 (0.46) | ALDH1A1CNR2KDM4ENPC1POLB | |
| SCHEMBL1696032 | 0.77 | NPC1 (0.47) | ALDH1A1GAAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL2483340 | 0.77 | NPC1 (0.47) | ALDH1A1GAAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL16664378 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9 |
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-0923544-B1 | METHOD FOR THE SYNTHESIS OF AMINES AND AMINO ACIDS WITH ORGANOBORON DERIVATIVES | UNIV SOUTHERN CALIFORNIA (US) | 2008-10-15 | — | — | EP | disclosed |
| US-6232467-B1 | BIOSYNTHESIS OF AN AMINE WITH KETONE AND BORON COMPOUND; COMPOUNDLIBRARIES | UNIVERSITY OF SOUTHERN CALIFORNIA | 2001-05-15 | — | — | US | disclosed |