Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960831 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL6480926 | 0.79 | ALOX5 (0.37) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL29960727 | 0.77 | PKM (0.39) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL29960595 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL19860132 | 0.76 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTKDM4EPKM | |
| SCHEMBL1269160 | 0.75 | ALOX15 (0.46) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL6556296 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL29219309 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL2040186 | 0.74 | KDM4E (0.42) | ALDH1A1CYP2C19LMNAMAPTKDM4E | |
| SCHEMBL6492480 | 0.74 | ALDH1A1 (0.35) | ALDH1A1CYP2C19LMNAMAPTKDM4E |
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 |