Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960449 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL29219309 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL29960352 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL1269160 | 0.75 | ALOX15 (0.46) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL6556296 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL482069 | 0.74 | MAPT (0.46) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL9316711 | 0.73 | MAPT (0.34) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL9294262 | 0.73 | F2 (0.50) | ALDH1A1MAPTKDM4ELMNACYP3A4 | |
| SCHEMBL4809773 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2C19MAPTKDM4ELMNA | |
| SCHEMBL9315762 | 0.73 | MAPT (0.35) | ALDH1A1MAPTKDM4ELMNAHPGD |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |