Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SLC9A5 | Q14940 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14725974 | 0.83 | ALDH1A1 (0.48) | TSHRALDH1A1MAPK1MAPTGAA | |
| SCHEMBL2317513 | 0.80 | CYP1A2 (0.47) | TSHRALDH1A1MAPK1MAPTADORA2A | |
| SCHEMBL2321134 | 0.78 | TSHR (0.44) | TSHRGFERALDH1A1MAPK1MAPT | |
| SCHEMBL22234855 | 0.78 | MAPT (0.49) | TSHRGFERALDH1A1MAPK1MAPT | |
| SCHEMBL2322572 | 0.78 | TSHR (0.44) | TSHRGFERALDH1A1MAPK1MAPT | |
| SCHEMBL2324009 | 0.76 | ALDH1A1 (0.42) | TSHRGFERALDH1A1MAPK1MAPT | |
| SCHEMBL3815039 | 0.73 | MAPT (0.46) | TSHRMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL2321291 | 0.72 | ROCK2 (0.60) | — | |
| SCHEMBL2320168 | 0.72 | ROCK2 (0.60) | — | |
| SCHEMBL19240314 | 0.71 | GFER (0.47) | TSHRMEN1KMT2AGFERALDH1A1 |
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-2867232-B1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2018-08-08 | — | — | EP | disclosed |