Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22712490 | 1.00 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1GAAPOLBMAPT | |
| SCHEMBL23605339 | 0.89 | SMN1; SMN2 (0.48) | ALDH1A1L3MBTL1POLBMAPTRAB9A | |
| SCHEMBL38662117 | 0.83 | AKR1C2 (0.47) | ALDH1A1POLBMAPTRAB9ANPC1 | |
| SCHEMBL22712460 | 0.79 | KDM4E (0.52) | ALDH1A1L3MBTL1GAAPOLBMAPT | |
| SCHEMBL30250379 | 0.79 | KDM4E (0.52) | ALDH1A1L3MBTL1GAAPOLBMAPT | |
| SCHEMBL22712440 | 0.78 | MAPT (0.40) | ALDH1A1L3MBTL1GAAMAPTRAB9A | |
| SCHEMBL29364817 | 0.78 | MAPT (0.40) | ALDH1A1L3MBTL1GAAMAPTRAB9A | |
| SCHEMBL29368117 | 0.77 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1GAAPOLBMAPT | |
| SCHEMBL22712484 | 0.77 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1GAAPOLBMAPT | |
| SCHEMBL3342312 | 0.77 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1GAAPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3968983-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | F. Hoffmann-La Roche AG (CH) | 2022-03-23 | — | — | EP | disclosed |