Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5211183 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TP53MAPTHTTCYP1A2 | |
| SCHEMBL2523386 | 0.87 | MAPT (0.46) | ALDH1A1TP53MAPTHTTPOLB | |
| SCHEMBL2523387 | 0.87 | MAPT (0.46) | ALDH1A1TP53MAPTHTTPOLB | |
| SCHEMBL2523123 | 0.85 | MAPT (0.49) | ALDH1A1TP53MAPTHTTBRD4 | |
| SCHEMBL2523125 | 0.85 | MAPT (0.49) | ALDH1A1TP53MAPTHTTBRD4 | |
| SCHEMBL2520056 | 0.85 | MAPT (0.45) | ALDH1A1TP53MAPTHTTLMNA | |
| SCHEMBL2520058 | 0.85 | MAPT (0.45) | ALDH1A1TP53MAPTHTTLMNA | |
| SCHEMBL2521112 | 0.83 | LMNA (0.44) | ALDH1A1TP53MAPTHTTSMN1; SMN2 | |
| SCHEMBL2521111 | 0.83 | LMNA (0.44) | ALDH1A1TP53MAPTHTTSMN1; SMN2 | |
| SCHEMBL2523393 | 0.78 | HRH3 (0.48) | — |
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-1448523-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | NOVARTIS AG (CH) | 2007-08-22 | — | — | EP | claimed |